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

Systemtic Name: 1-methyl-3-[2-[(4-nitro-1H-pyrazol-5-yl)sulfanyl]ethylcarbamoyl]pyrazole-4-carboxylic acid Openeye Name: 1-methyl-3-[2-[(4-nitro-1H-pyrazol-5-yl)sulfanyl]ethylcarbamoyl]pyrazole-4-carboxylic acid CAS Name: 1-methyl-3-[[2-[(4-nitro-1H-pyrazol-5-yl)thio]ethylamino]-oxomethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-methyl-3-[2-[(4-nitro-1H-pyrazol-5-yl)sulfanyl]ethylcarbamoyl]pyrazole-4-carboxylic acid Traditional Name: 1-methyl-3-[2-[(4-nitro-1H-pyrazol-5-yl)thio]ethylcarbamoyl]pyrazole-4-carboxylic acid Formula: C11H12N6O5S MolecularWeight: 340.31518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCCSC2=C(C=NN2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NCCSC2=C(C=NN2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H12N6O5S/c1-16-5-6(11(19)20)8(15-16)9(18)12-2-3-23-10-7(17(21)22)4-13-14-10/h4-5H,2-3H2,1H3,(H,12,18)(H,13,14)(H,19,20)