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

Systemtic Name: 3-[2-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]sulfanyl]propanoylamino]benzoic acid CAS Name: 3-[[2-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]thio]propanoylamino]benzoic acid Formula: C29H23N3O3S MolecularWeight: 493.57622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SC(C)C(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SC(C)C(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

InChI

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