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

Systemtic Name: (NE)-N-[(1,3-dimethyl-5-phenylsulfanyl-pyrazol-4-yl)methylidene]hydroxylamine Openeye Name: (4E)-1,3-dimethyl-5-phenylsulfanyl-pyrazole-4-carbaldehyde oxime CAS Name: (4E)-1,3-dimethyl-5-(phenylthio)-4-pyrazolecarboxaldehyde oxime IUPAC Name: (NE)-N-[(1,3-dimethyl-5-phenylsulfanylpyrazol-4-yl)methylidene]hydroxylamine Traditional Name: (4E)-1,3-dimethyl-5-(phenylthio)pyrazole-4-carbaldehyde oxime Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NO)SC2=CC=CC=C2)C

Isomeric SMILES

CC1=NN(C(=C1/C=N/O)SC2=CC=CC=C2)C

InChI

InChI=1S/C12H13N3OS/c1-9-11(8-13-16)12(15(2)14-9)17-10-6-4-3-5-7-10/h3-8,16H,1-2H3/b13-8+