4-[2-[(4-chlorophenyl)sulfanylmethyl]-3-cyano-6-thiophen-2-yl-pyridin-4-yl]benzoic acid

Systemtic Name: 4-[2-[(4-chlorophenyl)sulfanylmethyl]-3-cyano-6-thiophen-2-yl-pyridin-4-yl]benzoic acid Openeye Name: 4-[2-[(4-chlorophenyl)sulfanylmethyl]-3-cyano-6-(2-thienyl)-4-pyridyl]benzoic acid CAS Name: 4-[2-[[(4-chlorophenyl)thio]methyl]-3-cyano-6-thiophen-2-yl-4-pyridinyl]benzoic acid IUPAC Name: 4-[2-[(4-chlorophenyl)sulfanylmethyl]-3-cyano-6-thiophen-2-ylpyridin-4-yl]benzoic acid Traditional Name: 4-[2-[[(4-chlorophenyl)thio]methyl]-3-cyano-6-(2-thienyl)-4-pyridyl]benzoic acid Formula: C24H15ClN2O2S2 MolecularWeight: 462.9711

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)C(=O)O)C#N)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CSC(=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)C(=O)O)C#N)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H15ClN2O2S2/c25-17-7-9-18(10-8-17)31-14-22-20(13-26)19(12-21(27-22)23-2-1-11-30-23)15-3-5-16(6-4-15)24(28)29/h1-12H,14H2,(H,28,29)