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

Systemtic Name: 4,6-dimethyl-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[2-(p-tolylsulfonyl)ethylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[2-(4-methylphenyl)sulfonylethylthio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]pyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-(2-tosylethylthio)nicotinonitrile Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C(=CC(=N2)C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C(=CC(=N2)C)C)C#N

InChI

InChI=1S/C17H18N2O2S2/c1-12-4-6-15(7-5-12)23(20,21)9-8-22-17-16(11-18)13(2)10-14(3)19-17/h4-7,10H,8-9H2,1-3H3