1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(2-mercaptoethyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(2-sulfanylethyl)pyrazole-3-carboxamide Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(2-mercaptoethyl)pyrazole-3-carboxamide Formula: C12H16N6O3S MolecularWeight: 324.35884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NCCS)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NCCS)C)[N+](=O)[O-]

InChI

InChI=1S/C12H16N6O3S/c1-8-11(18(20)21)9(2)17(14-8)7-16-5-3-10(15-16)12(19)13-4-6-22/h3,5,22H,4,6-7H2,1-2H3,(H,13,19)