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

Systemtic Name: 3-nitro-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide Openeye Name: 3-nitro-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide CAS Name: N-(2-mercaptoethyl)-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 3-nitro-N-(2-sulfanylethyl)-1H-pyrazole-5-carboxamide Traditional Name: N-(2-mercaptoethyl)-3-nitro-1H-pyrazole-5-carboxamide Formula: C6H8N4O3S MolecularWeight: 216.21772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8N4O3S/c11-6(7-1-2-14)4-3-5(9-8-4)10(12)13/h3,14H,1-2H2,(H,7,11)(H,8,9)