2-ethyl-4-nitro-N-(2-sulfanylethyl)pyrazole-3-carboxamide

Systemtic Name: 2-ethyl-4-nitro-N-(2-sulfanylethyl)pyrazole-3-carboxamide Openeye Name: 2-ethyl-4-nitro-N-(2-sulfanylethyl)pyrazole-3-carboxamide CAS Name: 2-ethyl-N-(2-mercaptoethyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 2-ethyl-4-nitro-N-(2-sulfanylethyl)pyrazole-3-carboxamide Traditional Name: 2-ethyl-N-(2-mercaptoethyl)-4-nitro-pyrazole-3-carboxamide Formula: C8H12N4O3S MolecularWeight: 244.27088

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NCCS

Isomeric SMILES

CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NCCS

InChI

InChI=1S/C8H12N4O3S/c1-2-11-7(8(13)9-3-4-16)6(5-10-11)12(14)15/h5,16H,2-4H2,1H3,(H,9,13)