2-[1-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-2-methyl-propan-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[1-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-2-methyl-propan-2-yl]sulfanylethanenitrile Openeye Name: 2-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-1,1-dimethyl-ethyl]sulfanylacetonitrile CAS Name: 2-[[1-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]-2-methylpropan-2-yl]thio]acetonitrile IUPAC Name: 2-[1-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-2-methylpropan-2-yl]sulfanylacetonitrile Traditional Name: 2-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-1,1-dimethyl-ethyl]thio]acetonitrile Formula: C12H14ClF3N3S+ MolecularWeight: 324.77287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=[NH+]1)C(F)(F)F)Cl)SCC#N

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=[NH+]1)C(F)(F)F)Cl)SCC#N

InChI

InChI=1S/C12H13ClF3N3S/c1-11(2,20-4-3-17)7-19-10-9(13)5-8(6-18-10)12(14,15)16/h5-6H,4,7H2,1-2H3,(H,18,19)/p+1