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

Systemtic Name: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-4-phenyl-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-4-phenyl-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-[2-(4-tert-butylphenyl)sulfonylethylthio]-4-phenyl-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-4-phenyl-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-[2-(4-tert-butylphenyl)sulfonylethylthio]-4-phenyl-6-(2-thienyl)nicotinonitrile Formula: C28H26N2O2S3 MolecularWeight: 518.71324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C(=CC(=N2)C3=CC=CS3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C28H26N2O2S3/c1-28(2,3)21-11-13-22(14-12-21)35(31,32)17-16-34-27-24(19-29)23(20-8-5-4-6-9-20)18-25(30-27)26-10-7-15-33-26/h4-15,18H,16-17H2,1-3H3