3-[2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylbutanoylamino]benzoic acid

Systemtic Name: 3-[2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]butanoylamino]benzoic acid CAS Name: 3-[[2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]butanoylamino]benzoic acid Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=C(C=CC(=N2)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=C(C=CC(=N2)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C24H21N3O3S/c1-3-21(22(28)26-19-6-4-5-17(13-19)24(29)30)31-23-18(14-25)11-12-20(27-23)16-9-7-15(2)8-10-16/h4-13,21H,3H2,1-2H3,(H,26,28)(H,29,30)