2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-(2-sulfanylethyl)ethanamide

Systemtic Name: 2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-(2-sulfanylethyl)ethanamide Openeye Name: 2-(5-methyl-3,4-dinitro-pyrazol-1-yl)-N-(2-sulfanylethyl)acetamide CAS Name: N-(2-mercaptoethyl)-2-(5-methyl-3,4-dinitro-1-pyrazolyl)acetamide IUPAC Name: 2-(5-methyl-3,4-dinitropyrazol-1-yl)-N-(2-sulfanylethyl)acetamide Traditional Name: N-(2-mercaptoethyl)-2-(5-methyl-3,4-dinitro-pyrazol-1-yl)acetamide Formula: C8H11N5O5S MolecularWeight: 289.26844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N5O5S/c1-5-7(12(15)16)8(13(17)18)10-11(5)4-6(14)9-2-3-19/h19H,2-4H2,1H3,(H,9,14)