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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCCCC4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCCCC4CCCCC4

InChI

InChI=1S/C28H30N2OS/c1-31-24-16-14-23(15-17-24)27-19-25(22-12-6-3-7-13-22)26(20-29)28(30-27)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