Benzoic acid, 3-[[6-chloro-2-cyclopropyl-1-(1-ethyl-1H-pyrazol-4-yl)-7-fluoro-1H-indol-3-yl]thio]-2-fluoro-, sodium salt (1:1)

CAS Registry Number®

1782070-85-2

CAS Name

Benzoic acid, 3-[[6-chloro-2-cyclopropyl-1-(1-ethyl-1H-pyrazol-4-yl)-7-fluoro-1H-indol-3-yl]thio]-2-fluoro-, sodium salt (1:1)

Molecular Formula

C23H18ClF2N3O2S.Na

Cite this Page

Benzoic acid, 3-[[6-chloro-2-cyclopropyl-1-(1-ethyl-1H-pyrazol-4-yl)-7-fluoro-1H-indol-3-yl]thio]-2-fluoro-, sodium salt (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1782070-85-2 (retrieved 2024-11-23) (CAS RN: 1782070-85-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H18ClF2N3O2S.Na/c1-2-28-11-13(10-27-28)29-20(12-6-7-12)22(15-8-9-16(24)19(26)21(15)29)32-17-5-3-4-14(18(17)25)23(30)31;/h3-5,8-12H,2,6-7H2,1H3,(H,30,31);

InChIKey

InChIKey=WINRBJKSNKHEMR-UHFFFAOYSA-N

SMILES

S(C1=C(N(C=2C1=CC=C(Cl)C2F)C3=CN(CC)N=C3)C4CC4)C5=C(F)C(C(O)=O)=CC=C5.[Na]

Canonical SMILES

[Na].O=C(O)C=1C=CC=C(SC=2C=3C=CC(Cl)=C(F)C3N(C=4C=NN(C4)CC)C2C5CC5)C1F

Other Names for this Substance

  • Benzoic acid, 3-[[6-chloro-2-cyclopropyl-1-(1-ethyl-1H-pyrazol-4-yl)-7-fluoro-1H-indol-3-yl]thio]-2-fluoro-, sodium salt (1:1)

CAS INSIGHTSTM
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