6-(4-methylphenyl)-2-(2-oxidanyl-3-phenoxy-propyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-2-(2-oxidanyl-3-phenoxy-propyl)sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(2-hydroxy-3-phenoxy-propyl)sulfanyl-4-phenyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 2-[(2-hydroxy-3-phenoxypropyl)thio]-6-(4-methylphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-(2-hydroxy-3-phenoxypropyl)sulfanyl-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[(2-hydroxy-3-phenoxy-propyl)thio]-4-phenyl-6-(p-tolyl)nicotinonitrile Formula: C28H24N2O2S MolecularWeight: 452.56736

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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(COC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(COC4=CC=CC=C4)O

InChI

InChI=1S/C28H24N2O2S/c1-20-12-14-22(15-13-20)27-16-25(21-8-4-2-5-9-21)26(17-29)28(30-27)33-19-23(31)18-32-24-10-6-3-7-11-24/h2-16,23,31H,18-19H2,1H3