4-[(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]methyl]benzoic acid IUPAC Name: 4-[(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(3-cyano-4,6-diphenyl-2-pyridyl)thio]methyl]benzoic acid Formula: C26H18N2O2S MolecularWeight: 422.49832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H18N2O2S/c27-16-23-22(19-7-3-1-4-8-19)15-24(20-9-5-2-6-10-20)28-25(23)31-17-18-11-13-21(14-12-18)26(29)30/h1-15H,17H2,(H,29,30)