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

Systemtic Name: 2-(3-cyclohexylpropylsulfanyl)-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-(3-cyclohexylpropylsulfanyl)-4-(4-methoxyphenyl)-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-(3-cyclohexylpropylthio)-4-(4-methoxyphenyl)-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-(3-cyclohexylpropylsulfanyl)-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile Traditional Name: 2-(3-cyclohexylpropylthio)-4-(4-methoxyphenyl)-6-phenyl-nicotinonitrile Formula: C28H30N2OS MolecularWeight: 442.6156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCCC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCCC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2OS/c1-31-24-16-14-22(15-17-24)25-19-27(23-12-6-3-7-13-23)30-28(26(25)20-29)32-18-8-11-21-9-4-2-5-10-21/h3,6-7,12-17,19,21H,2,4-5,8-11,18H2,1H3