2-(cyclohexylmethylsulfanyl)-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-(cyclohexylmethylsulfanyl)-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile Openeye Name: 2-(cyclohexylmethylsulfanyl)-4-(4-methoxyphenyl)-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 2-(cyclohexylmethylthio)-4-(4-methoxyphenyl)-6-(4-methylphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-(cyclohexylmethylsulfanyl)-4-(4-methoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile Traditional Name: 2-(cyclohexylmethylthio)-4-(4-methoxyphenyl)-6-(p-tolyl)nicotinonitrile Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)OC)C#N)SCC4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)OC)C#N)SCC4CCCCC4

InChI

InChI=1S/C27H28N2OS/c1-19-8-10-22(11-9-19)26-16-24(21-12-14-23(30-2)15-13-21)25(17-28)27(29-26)31-18-20-6-4-3-5-7-20/h8-16,20H,3-7,18H2,1-2H3