6-(4-ethoxyphenyl)-4-phenyl-2-(phenylmethylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 6-(4-ethoxyphenyl)-4-phenyl-2-(phenylmethylsulfanyl)pyridine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-6-(4-ethoxyphenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-ethoxyphenyl)-4-phenyl-2-(phenylmethylthio)-3-pyridinecarbonitrile IUPAC Name: 2-benzylsulfanyl-6-(4-ethoxyphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-(benzylthio)-4-phenyl-6-p-phenetyl-nicotinonitrile Formula: C27H22N2OS MolecularWeight: 422.54138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC4=CC=CC=C4

InChI

InChI=1S/C27H22N2OS/c1-2-30-23-15-13-22(14-16-23)26-17-24(21-11-7-4-8-12-21)25(18-28)27(29-26)31-19-20-9-5-3-6-10-20/h3-17H,2,19H2,1H3