(NE)-N-[[1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]hydroxylamine

Systemtic Name: (NE)-N-[[1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]hydroxylamine Openeye Name: (4E)-1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde oxime CAS Name: (4E)-1-methyl-5-(phenylthio)-3-(trifluoromethyl)-4-pyrazolecarboxaldehyde oxime IUPAC Name: (NE)-N-[[1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]hydroxylamine Traditional Name: (4E)-1-methyl-5-(phenylthio)-3-(trifluoromethyl)pyrazole-4-carbaldehyde oxime Formula: C12H10F3N3OS MolecularWeight: 301.28751

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C=NO)SC2=CC=CC=C2

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)/C=N/O)SC2=CC=CC=C2

InChI

InChI=1S/C12H10F3N3OS/c1-18-11(20-8-5-3-2-4-6-8)9(7-16-19)10(17-18)12(13,14)15/h2-7,19H,1H3/b16-7+