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

Systemtic Name: 2-[cyano(phenyl)methyl]sulfanyl-4-phenyl-6-thiophen-2-yl-pyridine-3-carboxylic acid Openeye Name: 2-[cyano(phenyl)methyl]sulfanyl-4-phenyl-6-(2-thienyl)pyridine-3-carboxylic acid CAS Name: 2-[[cyano(phenyl)methyl]thio]-4-phenyl-6-thiophen-2-yl-3-pyridinecarboxylic acid IUPAC Name: 2-[cyano(phenyl)methyl]sulfanyl-4-phenyl-6-thiophen-2-ylpyridine-3-carboxylic acid Traditional Name: 2-[[cyano(phenyl)methyl]thio]-4-phenyl-6-(2-thienyl)nicotinic acid Formula: C24H16N2O2S2 MolecularWeight: 428.52604

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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=CC=C3)C4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C24H16N2O2S2/c25-15-21(17-10-5-2-6-11-17)30-23-22(24(27)28)18(16-8-3-1-4-9-16)14-19(26-23)20-12-7-13-29-20/h1-14,21H,(H,27,28)