3-methoxy-4-nitro-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide

Systemtic Name: 3-methoxy-4-nitro-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide Openeye Name: 3-methoxy-4-nitro-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide CAS Name: N-(2-mercaptoethyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 3-methoxy-4-nitro-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide Traditional Name: N-(2-mercaptoethyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C7H10N4O4S MolecularWeight: 246.2437

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NNC(=C1[N+](=O)[O-])C(=O)NCCS

Isomeric SMILES

COC1=NNC(=C1[N+](=O)[O-])C(=O)NCCS

InChI

InChI=1S/C7H10N4O4S/c1-15-7-5(11(13)14)4(9-10-7)6(12)8-2-3-16/h16H,2-3H2,1H3,(H,8,12)(H,9,10)