3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-(2-sulfanylethyl)propanamide

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-(2-sulfanylethyl)propanamide Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-N-(2-sulfanylethyl)propanamide CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-(2-mercaptoethyl)-2-methylpropanamide IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methyl-N-(2-sulfanylethyl)propanamide Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-(2-mercaptoethyl)-2-methyl-propionamide Formula: C11H18N4O3S MolecularWeight: 286.35062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C(=O)NCCS)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(C)C(=O)NCCS)C)[N+](=O)[O-]

InChI

InChI=1S/C11H18N4O3S/c1-7(11(16)12-4-5-19)6-14-9(3)10(15(17)18)8(2)13-14/h7,19H,4-6H2,1-3H3,(H,12,16)