2-[1-(methylamino)hexylsulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile hydrochloride

Systemtic Name: 2-[1-(methylamino)hexylsulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile hydrochloride Openeye Name: 2-[1-(methylamino)hexylsulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile hydrochloride CAS Name: 2-[1-(methylamino)hexylthio]-6-(trifluoromethyl)-3-pyridinecarbonitrile hydrochloride IUPAC Name: 2-[1-(methylamino)hexylsulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile hydrochloride Traditional Name: 2-[1-(methylamino)hexylthio]-6-(trifluoromethyl)nicotinonitrile hydrochloride Formula: C14H19ClF3N3S MolecularWeight: 353.83397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(NC)SC1=C(C=CC(=N1)C(F)(F)F)C#N.Cl

Isomeric SMILES

CCCCCC(NC)SC1=C(C=CC(=N1)C(F)(F)F)C#N.Cl

InChI

InChI=1S/C14H18F3N3S.ClH/c1-3-4-5-6-12(19-2)21-13-10(9-18)7-8-11(20-13)14(15,16)17;/h7-8,12,19H,3-6H2,1-2H3;1H