4-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 4-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 4-ethyl-5-methyl-2-(3-pyridylmethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 4-ethyl-5-methyl-2-(3-pyridinylmethylthio)-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 4-ethyl-5-methyl-2-(pyridin-3-ylmethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 4-ethyl-5-methyl-2-(3-pyridylmethylthio)-6-(trifluoromethyl)nicotinonitrile Formula: C16H14F3N3S MolecularWeight: 337.36267

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=C1C)C(F)(F)F)SCC2=CN=CC=C2)C#N

Isomeric SMILES

CCC1=C(C(=NC(=C1C)C(F)(F)F)SCC2=CN=CC=C2)C#N

InChI

InChI=1S/C16H14F3N3S/c1-3-12-10(2)14(16(17,18)19)22-15(13(12)7-20)23-9-11-5-4-6-21-8-11/h4-6,8H,3,9H2,1-2H3