2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-4,6-diphenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[2-(4-tert-butylphenyl)sulfonylethylthio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[2-(4-tert-butylphenyl)sulfonylethylthio]-4,6-diphenyl-nicotinonitrile Formula: C30H28N2O2S2 MolecularWeight: 512.68552

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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=CC=C3)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=CC=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C30H28N2O2S2/c1-30(2,3)24-14-16-25(17-15-24)36(33,34)19-18-35-29-27(21-31)26(22-10-6-4-7-11-22)20-28(32-29)23-12-8-5-9-13-23/h4-17,20H,18-19H2,1-3H3