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

Systemtic Name: 4-[2-[3-cyano-6-(4-methylphenyl)-4-phenyl-pyridin-2-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[3-cyano-4-phenyl-6-(p-tolyl)-2-pyridyl]thio]acetyl]amino]benzoic acid Formula: C28H21N3O3S MolecularWeight: 479.54964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C28H21N3O3S/c1-18-7-9-20(10-8-18)25-15-23(19-5-3-2-4-6-19)24(16-29)27(31-25)35-17-26(32)30-22-13-11-21(12-14-22)28(33)34/h2-15H,17H2,1H3,(H,30,32)(H,33,34)