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

Systemtic Name: ethyl (5E)-2-methyl-5-[nitroso(sulfanyl)methylidene]-1H-pyrazole-4-carboxylate Openeye Name: ethyl (5E)-2-methyl-5-[nitroso(sulfanyl)methylene]-1H-pyrazole-4-carboxylate CAS Name: (5E)-5-[mercapto(nitroso)methylidene]-2-methyl-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (5E)-2-methyl-5-[nitroso(sulfanyl)methylidene]-1H-pyrazole-4-carboxylate Traditional Name: (3E)-3-[mercapto(nitroso)methylene]-1-methyl-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C8H11N3O3S MolecularWeight: 229.25624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N3O3S/c1-3-14-8(12)5-4-11(2)9-6(5)7(15)10-13/h4,9,15H,3H2,1-2H3/b7-6+