2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]acetic acid IUPAC Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]acetic acid Formula: C6H7N3O4S MolecularWeight: 217.20248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)SCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)SCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C6H7N3O4S/c1-3-5(9(12)13)6(8-7-3)14-2-4(10)11/h2H2,1H3,(H,7,8)(H,10,11)