1-methyl-4-nitro-N-(2-sulfanylethyl)pyrazole-3-carboxamide

Systemtic Name: 1-methyl-4-nitro-N-(2-sulfanylethyl)pyrazole-3-carboxamide Openeye Name: 1-methyl-4-nitro-N-(2-sulfanylethyl)pyrazole-3-carboxamide CAS Name: N-(2-mercaptoethyl)-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-methyl-4-nitro-N-(2-sulfanylethyl)pyrazole-3-carboxamide Traditional Name: N-(2-mercaptoethyl)-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C7H10N4O3S MolecularWeight: 230.2443

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCCS)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NCCS)[N+](=O)[O-]

InChI

InChI=1S/C7H10N4O3S/c1-10-4-5(11(13)14)6(9-10)7(12)8-2-3-15/h4,15H,2-3H2,1H3,(H,8,12)