2-[(4-chlorophenyl)-cyano-methyl]sulfanyl-4-phenyl-6-thiophen-2-yl-pyridine-3-carboxylic acid

Systemtic Name: 2-[(4-chlorophenyl)-cyano-methyl]sulfanyl-4-phenyl-6-thiophen-2-yl-pyridine-3-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)-cyano-methyl]sulfanyl-4-phenyl-6-(2-thienyl)pyridine-3-carboxylic acid CAS Name: 2-[[(4-chlorophenyl)-cyanomethyl]thio]-4-phenyl-6-thiophen-2-yl-3-pyridinecarboxylic acid IUPAC Name: 2-[(4-chlorophenyl)-cyanomethyl]sulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carboxylic acid Traditional Name: 2-[[(4-chlorophenyl)-cyano-methyl]thio]-4-phenyl-6-(2-thienyl)nicotinic acid Formula: C24H15ClN2O2S2 MolecularWeight: 462.9711

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C(=O)O)SC(C#N)C3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C(=O)O)SC(C#N)C3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

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