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

Systemtic Name: 6-(4-methoxyphenyl)-4-phenyl-2-[(phenylmethylsulfanyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 2-(benzylsulfanylmethylsulfanyl)-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-4-phenyl-2-[(phenylmethylthio)methylthio]-3-pyridinecarbonitrile IUPAC Name: 2-(benzylsulfanylmethylsulfanyl)-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[(benzylthio)methylthio]-6-(4-methoxyphenyl)-4-phenyl-nicotinonitrile Formula: C27H22N2OS2 MolecularWeight: 454.60638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCSCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCSCC4=CC=CC=C4

InChI

InChI=1S/C27H22N2OS2/c1-30-23-14-12-22(13-15-23)26-16-24(21-10-6-3-7-11-21)25(17-28)27(29-26)32-19-31-18-20-8-4-2-5-9-20/h2-16H,18-19H2,1H3