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

Systemtic Name: ethyl (5E)-5-[nitroso(sulfanyl)methylidene]-2-phenyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl (5E)-5-[nitroso(sulfanyl)methylene]-2-phenyl-1H-pyrazole-4-carboxylate CAS Name: (5E)-5-[mercapto(nitroso)methylidene]-2-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-[nitroso(sulfanyl)methylidene]-2-phenyl-1H-pyrazole-4-carboxylate Traditional Name: (3E)-3-[mercapto(nitroso)methylene]-1-phenyl-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(NC1=C(N=O)S)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C\1=CN(N/C1=C(\N=O)/S)C2=CC=CC=C2

InChI

InChI=1S/C13H13N3O3S/c1-2-19-13(17)10-8-16(9-6-4-3-5-7-9)14-11(10)12(20)15-18/h3-8,14,20H,2H2,1H3/b12-11+