4-[2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[(3-cyano-6-phenyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(3-cyano-6-phenylpyridin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(3-cyano-6-phenyl-2-pyridyl)thio]acetyl]amino]benzoic acid Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H15N3O3S/c22-12-16-8-11-18(14-4-2-1-3-5-14)24-20(16)28-13-19(25)23-17-9-6-15(7-10-17)21(26)27/h1-11H,13H2,(H,23,25)(H,26,27)