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

Systemtic Name: 3-[2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]propanoylamino]benzoic acid CAS Name: 3-[[2-[(3-cyano-6-phenyl-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-(3-cyano-6-phenylpyridin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[(3-cyano-6-phenyl-2-pyridyl)thio]propanoylamino]benzoic acid Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O3S/c1-14(20(26)24-18-9-5-8-16(12-18)22(27)28)29-21-17(13-23)10-11-19(25-21)15-6-3-2-4-7-15/h2-12,14H,1H3,(H,24,26)(H,27,28)