2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-N-[4-[4,5-dihydro-5-oxo-4-[(1-phenyl-1H-tetrazol-5-yl)thio]-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl]phenyl]butanamide

CAS Registry Number®

30818-18-9

CAS Name

2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-N-[4-[4,5-dihydro-5-oxo-4-[(1-phenyl-1H-tetrazol-5-yl)thio]-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl]phenyl]butanamide

Molecular Formula

C40H50N8O3S

Molecular Mass

722.94

Cite this Page

2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-N-[4-[4,5-dihydro-5-oxo-4-[(1-phenyl-1H-tetrazol-5-yl)thio]-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl]phenyl]butanamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=30818-18-9 (retrieved 2024-11-24) (CAS RN: 30818-18-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H50N8O3S/c1-8-32(51-33-23-18-27(39(4,5)9-2)26-31(33)40(6,7)10-3)36(49)41-28-19-21-30(22-20-28)47-37(50)34(35(43-47)46-24-14-15-25-46)52-38-42-44-45-48(38)29-16-12-11-13-17-29/h11-13,16-23,26,32,34H,8-10,14-15,24-25H2,1-7H3,(H,41,49)

InChIKey

InChIKey=XBRACQJIEMMORN-UHFFFAOYSA-N

SMILES

S(C1C(=NN(C1=O)C2=CC=C(NC(C(OC3=C(C(CC)(C)C)C=C(C(CC)(C)C)C=C3)CC)=O)C=C2)N4CCCC4)C=5N(N=NN5)C6=CC=CC=C6

Canonical SMILES

O=C(NC1=CC=C(C=C1)N2N=C(N3CCCC3)C(SC4=NN=NN4C=5C=CC=CC5)C2=O)C(OC6=CC=C(C=C6C(C)(C)CC)C(C)(C)CC)CC

Other Names for this Substance

  • Butanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[4,5-dihydro-5-oxo-4-[(1-phenyl-1H-tetrazol-5-yl)thio]-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl]phenyl]-
  • Butyranilide, 2-(2,4-di-tert-pentylphenoxy)-4′-[5-oxo-4-[(1-phenyl-1H-tetrazol-5-yl)thio]-3-(1-pyrrolidinyl)-2-pyrazolin-1-yl]-
  • 2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-N-[4-[4,5-dihydro-5-oxo-4-[(1-phenyl-1H-tetrazol-5-yl)thio]-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl]phenyl]butanamide

Deleted or Replaced CAS Registry Numbers

93672-51-6, 248915-07-3

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