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

Systemtic Name: 3-[1-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]-2-methyl-propan-2-yl]sulfanylbutan-2-one Openeye Name: 3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-1,1-dimethyl-ethyl]sulfanylbutan-2-one CAS Name: 3-[[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropan-2-yl]thio]-2-butanone IUPAC Name: 3-[1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-methylpropan-2-yl]sulfanylbutan-2-one Traditional Name: 3-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]-1,1-dimethyl-ethyl]thio]butan-2-one Formula: C14H18ClF3N2OS MolecularWeight: 354.81873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC(C)(C)CNC1=C(C=C(C=N1)C(F)(F)F)Cl

Isomeric SMILES

CC(C(=O)C)SC(C)(C)CNC1=C(C=C(C=N1)C(F)(F)F)Cl

InChI

InChI=1S/C14H18ClF3N2OS/c1-8(21)9(2)22-13(3,4)7-20-12-11(15)5-10(6-19-12)14(16,17)18/h5-6,9H,7H2,1-4H3,(H,19,20)