ethyl (3Z)-2-tert-butyl-3-[nitroso(sulfanyl)methylidene]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl (3Z)-2-tert-butyl-3-[nitroso(sulfanyl)methylidene]-1H-pyrazole-4-carboxylate Openeye Name: ethyl (3Z)-2-tert-butyl-3-[nitroso(sulfanyl)methylene]-1H-pyrazole-4-carboxylate CAS Name: (3Z)-2-tert-butyl-3-[mercapto(nitroso)methylidene]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (3Z)-2-tert-butyl-3-[nitroso(sulfanyl)methylidene]-1H-pyrazole-4-carboxylate Traditional Name: (5Z)-1-tert-butyl-5-[mercapto(nitroso)methylene]-3-pyrazoline-4-carboxylic acid ethyl ester Formula: C11H17N3O3S MolecularWeight: 271.33598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3O3S/c1-5-17-10(15)7-6-12-14(11(2,3)4)8(7)9(18)13-16/h6,12,18H,5H2,1-4H3/b9-8-