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

Systemtic Name: 2-chloranyl-5-[3-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[3-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]propanoylamino]benzoic acid CAS Name: 2-chloro-5-[[3-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[3-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[3-[(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:

C1=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

C1=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/C28H20ClN3O3S/c29-24-12-11-20(15-22(24)28(34)35)31-26(33)13-14-36-27-23(17-30)21(18-7-3-1-4-8-18)16-25(32-27)19-9-5-2-6-10-19/h1-12,15-16H,13-14H2,(H,31,33)(H,34,35)