6-methyl-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-methyl-2-[2-(p-tolylsulfonyl)ethylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-methyl-2-[2-(4-methylphenyl)sulfonylethylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-methyl-2-(2-tosylethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C17H15F3N2O2S2 MolecularWeight: 400.43841

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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(F)(F)F)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H15F3N2O2S2/c1-11-3-5-13(6-4-11)26(23,24)8-7-25-16-14(10-21)15(17(18,19)20)9-12(2)22-16/h3-6,9H,7-8H2,1-2H3