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

Systemtic Name: 6-cyclopropyl-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-cyclopropyl-2-[2-(p-tolylsulfonyl)ethylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-cyclopropyl-2-[2-(4-methylphenyl)sulfonylethylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-cyclopropyl-2-[2-(4-methylphenyl)sulfonylethylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-cyclopropyl-2-(2-tosylethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C19H17F3N2O2S2 MolecularWeight: 426.47569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C(=CC(=N2)C3CC3)C(F)(F)F)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=C(C(=CC(=N2)C3CC3)C(F)(F)F)C#N

InChI

InChI=1S/C19H17F3N2O2S2/c1-12-2-6-14(7-3-12)28(25,26)9-8-27-18-15(11-23)16(19(20,21)22)10-17(24-18)13-4-5-13/h2-3,6-7,10,13H,4-5,8-9H2,1H3