4,6-bis(4-methoxyphenyl)-2-(phenylmethylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 4,6-bis(4-methoxyphenyl)-2-(phenylmethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile CAS Name: 4,6-bis(4-methoxyphenyl)-2-(phenylmethylthio)-3-pyridinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-(benzylthio)-4,6-bis(4-methoxyphenyl)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)C4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

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