ethyl (3Z)-3-[nitroso(sulfanyl)methylidene]-5-phenyl-1,2-dihydropyrazole-4-carboxylate

Systemtic Name: ethyl (3Z)-3-[nitroso(sulfanyl)methylidene]-5-phenyl-1,2-dihydropyrazole-4-carboxylate Openeye Name: ethyl (3Z)-3-[nitroso(sulfanyl)methylene]-5-phenyl-1,2-dihydropyrazole-4-carboxylate CAS Name: (3Z)-3-[mercapto(nitroso)methylidene]-5-phenyl-1,2-dihydropyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (3Z)-3-[nitroso(sulfanyl)methylidene]-5-phenyl-1,2-dihydropyrazole-4-carboxylate Traditional Name: (3Z)-3-[mercapto(nitroso)methylene]-5-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=C(NNC1=C(N=O)S)C2=CC=CC=C2

Isomeric SMILES

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

InChI

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