2-chloranyl-5-[3-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[3-[3-cyano-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[3-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]sulfanyl]propanoylamino]benzoic acid CAS Name: 2-chloro-5-[[3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[3-[3-cyano-4-(4-methylphenyl)-6-phenylpyridin-2-yl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[3-[[3-cyano-6-phenyl-4-(p-tolyl)-2-pyridyl]thio]propanoylamino]benzoic acid Formula: C29H22ClN3O3S MolecularWeight: 528.02128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H22ClN3O3S/c1-18-7-9-19(10-8-18)22-16-26(20-5-3-2-4-6-20)33-28(24(22)17-31)37-14-13-27(34)32-21-11-12-25(30)23(15-21)29(35)36/h2-12,15-16H,13-14H2,1H3,(H,32,34)(H,35,36)