2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(2-sulfanylethyl)ethanamide

Systemtic Name: 2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(2-sulfanylethyl)ethanamide Openeye Name: 2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-N-(2-sulfanylethyl)acetamide CAS Name: 2-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-N-(2-mercaptoethyl)acetamide IUPAC Name: 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(2-sulfanylethyl)acetamide Traditional Name: 2-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)-N-(2-mercaptoethyl)acetamide Formula: C8H11ClN4O3S MolecularWeight: 278.71594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11ClN4O3S/c1-5-7(9)8(13(15)16)11-12(5)4-6(14)10-2-3-17/h17H,2-4H2,1H3,(H,10,14)