2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-6-(4-methylphenyl)-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-6-(4-methylphenyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-4-phenyl-6-(p-tolyl)pyridine-3-carbonitrile CAS Name: 2-[2-(4-tert-butylphenyl)sulfonylethylthio]-6-(4-methylphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-6-(4-methylphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[2-(4-tert-butylphenyl)sulfonylethylthio]-4-phenyl-6-(p-tolyl)nicotinonitrile Formula: C31H30N2O2S2 MolecularWeight: 526.7121

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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)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H30N2O2S2/c1-22-10-12-24(13-11-22)29-20-27(23-8-6-5-7-9-23)28(21-32)30(33-29)36-18-19-37(34,35)26-16-14-25(15-17-26)31(2,3)4/h5-17,20H,18-19H2,1-4H3