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

Systemtic Name: 2-chloranyl-5-[2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]propanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[(3-cyano-6-phenyl-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-(3-cyano-6-phenylpyridin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[(3-cyano-6-phenyl-2-pyridyl)thio]propanoylamino]benzoic acid Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN3O3S/c1-13(20(27)25-16-8-9-18(23)17(11-16)22(28)29)30-21-15(12-24)7-10-19(26-21)14-5-3-2-4-6-14/h2-11,13H,1H3,(H,25,27)(H,28,29)