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

Systemtic Name: 3-[2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]butanoylamino]benzoic acid CAS Name: 3-[[2-[(3-cyano-6-phenyl-2-pyridinyl)thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-(3-cyano-6-phenylpyridin-2-yl)sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[(3-cyano-6-phenyl-2-pyridyl)thio]butanoylamino]benzoic acid Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O3S/c1-2-20(21(27)25-18-10-6-9-16(13-18)23(28)29)30-22-17(14-24)11-12-19(26-22)15-7-4-3-5-8-15/h3-13,20H,2H2,1H3,(H,25,27)(H,28,29)