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

Systemtic Name: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[2-(4-tert-butylphenyl)sulfonylethylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-tert-butylphenyl)sulfonylethylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[2-(4-tert-butylphenyl)sulfonylethylthio]-4,6-dimethyl-nicotinonitrile Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCCS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCCS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C20H24N2O2S2/c1-14-12-15(2)22-19(18(14)13-21)25-10-11-26(23,24)17-8-6-16(7-9-17)20(3,4)5/h6-9,12H,10-11H2,1-5H3