2-[2-(4-tert-butylphenyl)sulfinylethylsulfanyl]-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(4-tert-butylphenyl)sulfinylethylsulfanyl]-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-tert-butylphenyl)sulfinylethylsulfanyl]-6-(4-methoxyphenyl)-4-phenyl-pyridine-3-carbonitrile CAS Name: 2-[2-(4-tert-butylphenyl)sulfinylethylthio]-6-(4-methoxyphenyl)-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-tert-butylphenyl)sulfinylethylsulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile Traditional Name: 2-[2-(4-tert-butylphenyl)sulfinylethylthio]-6-(4-methoxyphenyl)-4-phenyl-nicotinonitrile Formula: C31H30N2O2S2 MolecularWeight: 526.7121

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)CCSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)CCSC2=C(C(=CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C#N

InChI

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