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

Systemtic Name: 4-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-pyridin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[4-(4-chlorophenyl)-3-cyano-6-(2-thienyl)-2-pyridyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-yl-2-pyridinyl]thio]methyl]benzoic acid IUPAC Name: 4-[[4-(4-chlorophenyl)-3-cyano-6-thiophen-2-ylpyridin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[4-(4-chlorophenyl)-3-cyano-6-(2-thienyl)-2-pyridyl]thio]methyl]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)Cl)C#N)SCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC4=CC=C(C=C4)C(=O)O

InChI

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