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

Systemtic Name: 4-chloranyl-3-[2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]propanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]propanoylamino]benzoic acid Formula: C28H20ClN3O3S MolecularWeight: 513.9947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H20ClN3O3S/c1-17(26(33)31-25-14-20(28(34)35)12-13-23(25)29)36-27-22(16-30)21(18-8-4-2-5-9-18)15-24(32-27)19-10-6-3-7-11-19/h2-15,17H,1H3,(H,31,33)(H,34,35)