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

Systemtic Name: 3-[2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]propanoylamino]benzoic acid CAS Name: 3-[[2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]propanoylamino]benzoic acid Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O3S/c1-14-6-8-16(9-7-14)20-11-10-18(13-24)22(26-20)30-15(2)21(27)25-19-5-3-4-17(12-19)23(28)29/h3-12,15H,1-2H3,(H,25,27)(H,28,29)