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

Systemtic Name: 3-[2-[3-cyano-4-(3-fluorophenyl)-6-phenyl-pyridin-2-yl]sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-[[3-cyano-4-(3-fluorophenyl)-6-phenyl-2-pyridyl]sulfanyl]butanoylamino]benzoic acid CAS Name: 3-[[2-[[3-cyano-4-(3-fluorophenyl)-6-phenyl-2-pyridinyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-[3-cyano-4-(3-fluorophenyl)-6-phenylpyridin-2-yl]sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[[3-cyano-4-(3-fluorophenyl)-6-phenyl-2-pyridyl]thio]butanoylamino]benzoic acid Formula: C29H22FN3O3S MolecularWeight: 511.566683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H22FN3O3S/c1-2-26(27(34)32-22-13-7-11-20(15-22)29(35)36)37-28-24(17-31)23(19-10-6-12-21(30)14-19)16-25(33-28)18-8-4-3-5-9-18/h3-16,26H,2H2,1H3,(H,32,34)(H,35,36)