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

Systemtic Name: 4,6-dimethyl-2-[(4-methylphenyl)sulfonylmethylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,6-dimethyl-2-(p-tolylsulfonylmethylsulfanyl)pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[(4-methylphenyl)sulfonylmethylthio]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[(4-methylphenyl)sulfonylmethylsulfanyl]pyridine-3-carbonitrile Traditional Name: 4,6-dimethyl-2-(tosylmethylthio)nicotinonitrile Formula: C16H16N2O2S2 MolecularWeight: 332.44044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CSC2=C(C(=CC(=N2)C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CSC2=C(C(=CC(=N2)C)C)C#N

InChI

InChI=1S/C16H16N2O2S2/c1-11-4-6-14(7-5-11)22(19,20)10-21-16-15(9-17)12(2)8-13(3)18-16/h4-8H,10H2,1-3H3