2-[(2-chlorophenyl)methylsulfanyl]-6-ethyl-5-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-6-ethyl-5-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-6-ethyl-5-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(2-chlorophenyl)methylthio]-6-ethyl-5-methyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-6-ethyl-5-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(2-chlorobenzyl)thio]-6-ethyl-5-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C17H14ClF3N2S MolecularWeight: 370.81967

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=N1)SCC2=CC=CC=C2Cl)C#N)C(F)(F)F)C

Isomeric SMILES

CCC1=C(C(=C(C(=N1)SCC2=CC=CC=C2Cl)C#N)C(F)(F)F)C

InChI

InChI=1S/C17H14ClF3N2S/c1-3-14-10(2)15(17(19,20)21)12(8-22)16(23-14)24-9-11-6-4-5-7-13(11)18/h4-7H,3,9H2,1-2H3