6-(4-methylphenyl)-2-[(1-oxidanylcyclohexyl)methylsulfanyl]-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-2-[(1-oxidanylcyclohexyl)methylsulfanyl]-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[(1-hydroxycyclohexyl)methylsulfanyl]-4-phenyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 2-[(1-hydroxycyclohexyl)methylthio]-6-(4-methylphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[(1-hydroxycyclohexyl)methylsulfanyl]-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[(1-hydroxycyclohexyl)methylthio]-4-phenyl-6-(p-tolyl)nicotinonitrile Formula: C26H26N2OS MolecularWeight: 414.56244

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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)SCC4(CCCCC4)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC4(CCCCC4)O

InChI

InChI=1S/C26H26N2OS/c1-19-10-12-21(13-11-19)24-16-22(20-8-4-2-5-9-20)23(17-27)25(28-24)30-18-26(29)14-6-3-7-15-26/h2,4-5,8-13,16,29H,3,6-7,14-15,18H2,1H3