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

Systemtic Name: 4-[2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]propanoylamino]benzoic acid CAS Name: 4-[[2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]propanoylamino]benzoic acid Formula: C28H21N3O3S MolecularWeight: 479.54964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)O)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C28H21N3O3S/c1-18(26(32)30-22-14-12-21(13-15-22)28(33)34)35-27-24(17-29)23(19-8-4-2-5-9-19)16-25(31-27)20-10-6-3-7-11-20/h2-16,18H,1H3,(H,30,32)(H,33,34)