ethyl (5E)-2,3-dimethyl-5-[nitroso(sulfanyl)methylidene]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl (5E)-2,3-dimethyl-5-[nitroso(sulfanyl)methylidene]-1H-pyrazole-4-carboxylate Openeye Name: ethyl (5E)-2,3-dimethyl-5-[nitroso(sulfanyl)methylene]-1H-pyrazole-4-carboxylate CAS Name: (5E)-5-[mercapto(nitroso)methylidene]-2,3-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (5E)-2,3-dimethyl-5-[nitroso(sulfanyl)methylidene]-1H-pyrazole-4-carboxylate Traditional Name: (3E)-3-[mercapto(nitroso)methylene]-1,5-dimethyl-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C9H13N3O3S MolecularWeight: 243.28282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(NC1=C(N=O)S)C)C

Isomeric SMILES

CCOC(=O)C\1=C(N(N/C1=C(\N=O)/S)C)C

InChI

InChI=1S/C9H13N3O3S/c1-4-15-9(13)6-5(2)12(3)10-7(6)8(16)11-14/h10,16H,4H2,1-3H3/b8-7+