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

Systemtic Name: 3-[2-(3-cyano-6-naphthalen-2-yl-4-phenyl-pyridin-2-yl)sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-[[3-cyano-6-(2-naphthyl)-4-phenyl-2-pyridyl]sulfanyl]butanoylamino]benzoic acid CAS Name: 3-[[2-[[3-cyano-6-(2-naphthalenyl)-4-phenyl-2-pyridinyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-(3-cyano-6-naphthalen-2-yl-4-phenylpyridin-2-yl)sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[[3-cyano-6-(2-naphthyl)-4-phenyl-2-pyridyl]thio]butanoylamino]benzoic acid Formula: C33H25N3O3S MolecularWeight: 543.6349

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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=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=C(C(=CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C#N

InChI

InChI=1S/C33H25N3O3S/c1-2-30(31(37)35-26-14-8-13-25(18-26)33(38)39)40-32-28(20-34)27(22-10-4-3-5-11-22)19-29(36-32)24-16-15-21-9-6-7-12-23(21)17-24/h3-19,30H,2H2,1H3,(H,35,37)(H,38,39)