6-(4-methylphenyl)-2-[3-[(4-methylphenyl)amino]-2-oxidanyl-propyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-2-[3-[(4-methylphenyl)amino]-2-oxidanyl-propyl]sulfanyl-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-4-phenyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 2-[[2-hydroxy-3-(4-methylanilino)propyl]thio]-6-(4-methylphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-hydroxy-3-(4-methylanilino)propyl]sulfanyl-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[[2-hydroxy-3-(p-toluidino)propyl]thio]-4-phenyl-6-(p-tolyl)nicotinonitrile Formula: C29H27N3OS MolecularWeight: 465.60918

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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(CNC4=CC=C(C=C4)C)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC(CNC4=CC=C(C=C4)C)O

InChI

InChI=1S/C29H27N3OS/c1-20-8-12-23(13-9-20)28-16-26(22-6-4-3-5-7-22)27(17-30)29(32-28)34-19-25(33)18-31-24-14-10-21(2)11-15-24/h3-16,25,31,33H,18-19H2,1-2H3