4-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 4-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylthio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]-6-phenylpyridine-3-carbonitrile Traditional Name: 2-(m-anisylthio)-4-(4-methoxyphenyl)-6-phenyl-nicotinonitrile Formula: C27H22N2O2S MolecularWeight: 438.54078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC(=CC=C3)OC)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC(=CC=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H22N2O2S/c1-30-22-13-11-20(12-14-22)24-16-26(21-8-4-3-5-9-21)29-27(25(24)17-28)32-18-19-7-6-10-23(15-19)31-2/h3-16H,18H2,1-2H3