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

Systemtic Name: 2-(cyclohexylmethylsulfanyl)-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(cyclohexylmethylsulfanyl)-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-(cyclohexylmethylthio)-4-(4-methoxyphenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-(cyclohexylmethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-(cyclohexylmethylthio)-4-(4-methoxyphenyl)-6-phenyl-nicotinonitrile Formula: C26H26N2OS MolecularWeight: 414.56244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2OS/c1-29-22-14-12-20(13-15-22)23-16-25(21-10-6-3-7-11-21)28-26(24(23)17-27)30-18-19-8-4-2-5-9-19/h3,6-7,10-16,19H,2,4-5,8-9,18H2,1H3