2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[1-(1-azepanyl)-1-oxopropan-2-yl]thio]-6-methyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-6-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C17H20F3N3OS MolecularWeight: 371.42041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SC(C)C(=O)N2CCCCCC2

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SC(C)C(=O)N2CCCCCC2

InChI

InChI=1S/C17H20F3N3OS/c1-11-9-14(17(18,19)20)13(10-21)15(22-11)25-12(2)16(24)23-7-5-3-4-6-8-23/h9,12H,3-8H2,1-2H3