6-(4-methylphenyl)-4-phenyl-2-[2-(phenylmethyl)sulfinylethylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 6-(4-methylphenyl)-4-phenyl-2-[2-(phenylmethyl)sulfinylethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 2-(2-benzylsulfinylethylsulfanyl)-4-phenyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 6-(4-methylphenyl)-4-phenyl-2-[2-(phenylmethyl)sulfinylethylthio]-3-pyridinecarbonitrile IUPAC Name: 2-(2-benzylsulfinylethylsulfanyl)-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-(2-benzylsulfinylethylthio)-4-phenyl-6-(p-tolyl)nicotinonitrile Formula: C28H24N2OS2 MolecularWeight: 468.63296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCCS(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCCS(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H24N2OS2/c1-21-12-14-24(15-13-21)27-18-25(23-10-6-3-7-11-23)26(19-29)28(30-27)32-16-17-33(31)20-22-8-4-2-5-9-22/h2-15,18H,16-17,20H2,1H3