1-methyl-3-(2-sulfanylethylcarbamoyl)pyrazole-4-carboxylate

Systemtic Name: 1-methyl-3-(2-sulfanylethylcarbamoyl)pyrazole-4-carboxylate Openeye Name: 1-methyl-3-(2-sulfanylethylcarbamoyl)pyrazole-4-carboxylate CAS Name: 3-[(2-mercaptoethylamino)-oxomethyl]-1-methyl-4-pyrazolecarboxylate IUPAC Name: 1-methyl-3-(2-sulfanylethylcarbamoyl)pyrazole-4-carboxylate Traditional Name: 3-(2-mercaptoethylcarbamoyl)-1-methyl-pyrazole-4-carboxylate Formula: C8H10N3O3S- MolecularWeight: 228.2483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCCS)C(=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NCCS)C(=O)[O-]

InChI

InChI=1S/C8H11N3O3S/c1-11-4-5(8(13)14)6(10-11)7(12)9-2-3-15/h4,15H,2-3H2,1H3,(H,9,12)(H,13,14)/p-1