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

Systemtic Name: 4-[2-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-[2-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]sulfanyl]butanoylamino]benzoic acid CAS Name: 4-[[2-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-[2-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]thio]butanoylamino]benzoic acid Formula: C30H25N3O3S MolecularWeight: 507.6028

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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=C(C=C4)C)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=C(C=C4)C)C#N

InChI

InChI=1S/C30H25N3O3S/c1-3-27(28(34)32-23-15-13-22(14-16-23)30(35)36)37-29-25(18-31)24(20-11-9-19(2)10-12-20)17-26(33-29)21-7-5-4-6-8-21/h4-17,27H,3H2,1-2H3,(H,32,34)(H,35,36)