2,5-dimethyl-4-nitro-N-(2-sulfanylethyl)pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-4-nitro-N-(2-sulfanylethyl)pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-4-nitro-N-(2-sulfanylethyl)pyrazole-3-carboxamide CAS Name: N-(2-mercaptoethyl)-2,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-4-nitro-N-(2-sulfanylethyl)pyrazole-3-carboxamide Traditional Name: N-(2-mercaptoethyl)-2,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C8H12N4O3S MolecularWeight: 244.27088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NCCS)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NCCS)C

InChI

InChI=1S/C8H12N4O3S/c1-5-6(12(14)15)7(11(2)10-5)8(13)9-3-4-16/h16H,3-4H2,1-2H3,(H,9,13)