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

Systemtic Name: 4-[2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylbutanoylamino]benzoic acid Openeye Name: 4-[2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]butanoylamino]benzoic acid CAS Name: 4-[[2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylbutanoylamino]benzoic acid Traditional Name: 4-[2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]butanoylamino]benzoic acid Formula: C29H23N3O3S MolecularWeight: 493.57622

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C29H23N3O3S/c1-2-26(27(33)31-22-15-13-21(14-16-22)29(34)35)36-28-24(18-30)23(19-9-5-3-6-10-19)17-25(32-28)20-11-7-4-8-12-20/h3-17,26H,2H2,1H3,(H,31,33)(H,34,35)