1-methyl-5-methylsulfanyl-3-nitro-pyrazole-4-carboxylic acid

Systemtic Name: 1-methyl-5-methylsulfanyl-3-nitro-pyrazole-4-carboxylic acid Openeye Name: 1-methyl-5-methylsulfanyl-3-nitro-pyrazole-4-carboxylic acid CAS Name: 1-methyl-5-(methylthio)-3-nitro-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-methylsulfanyl-3-nitropyrazole-4-carboxylic acid Traditional Name: 1-methyl-5-(methylthio)-3-nitro-pyrazole-4-carboxylic acid Formula: C6H7N3O4S MolecularWeight: 217.20248

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)[N+](=O)[O-])C(=O)O)SC

Isomeric SMILES

CN1C(=C(C(=N1)[N+](=O)[O-])C(=O)O)SC

InChI

InChI=1S/C6H7N3O4S/c1-8-5(14-2)3(6(10)11)4(7-8)9(12)13/h1-2H3,(H,10,11)