2-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[2-(2,5-dimethylphenyl)sulfonylethylthio]-6-methyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[2-(2,5-dimethylphenyl)sulfonylethylthio]-6-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C18H17F3N2O2S2 MolecularWeight: 414.46499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17F3N2O2S2/c1-11-4-5-12(2)16(8-11)27(24,25)7-6-26-17-14(10-22)15(18(19,20)21)9-13(3)23-17/h4-5,8-9H,6-7H2,1-3H3