2-[[5-[4-(1,1-Dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetonitrile

CAS Registry Number®

494193-67-8

CAS Name

2-[[5-[4-(1,1-Dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetonitrile

Molecular Formula

C20H20N4S

Molecular Mass

348.47

Cite this Page

2-[[5-[4-(1,1-Dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=494193-67-8 (retrieved 2025-07-30) (CAS RN: 494193-67-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H20N4S/c1-20(2,3)16-11-9-15(10-12-16)18-22-23-19(25-14-13-21)24(18)17-7-5-4-6-8-17/h4-12H,14H2,1-3H3

InChIKey

InChIKey=FSXZIJKRGOPSFB-UHFFFAOYSA-N

SMILES

S(CC#N)C=1N(C(=NN1)C2=CC=C(C(C)(C)C)C=C2)C3=CC=CC=C3

Canonical SMILES

N#CCSC1=NN=C(C=2C=CC(=CC2)C(C)(C)C)N1C=3C=CC=CC3

Other Names for this Substance

  • Acetonitrile, 2-[[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
  • Acetonitrile, [[5-[4-(1,1-dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
  • 2-[[5-[4-(1,1-Dimethylethyl)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetonitrile

CAS INSIGHTSTM
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