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

Systemtic Name: 3-nitro-1-(2-sulfanylethyl)pyrazole-4-carboxamide Openeye Name: 3-nitro-1-(2-sulfanylethyl)pyrazole-4-carboxamide CAS Name: 1-(2-mercaptoethyl)-3-nitro-4-pyrazolecarboxamide IUPAC Name: 3-nitro-1-(2-sulfanylethyl)pyrazole-4-carboxamide Traditional Name: 1-(2-mercaptoethyl)-3-nitro-pyrazole-4-carboxamide Formula: C6H8N4O3S MolecularWeight: 216.21772

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NN1CCS)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=C(C(=NN1CCS)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C6H8N4O3S/c7-5(11)4-3-9(1-2-14)8-6(4)10(12)13/h3,14H,1-2H2,(H2,7,11)