1-methyl-5-(4-oxidanylidene-4-sulfanyl-butyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-methyl-5-(4-oxidanylidene-4-sulfanyl-butyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-methyl-5-(4-oxo-4-sulfanyl-butyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-(4-mercapto-4-oxobutyl)-1-methyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-methyl-5-(4-oxo-4-sulfanylbutyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-(4-keto-4-mercapto-butyl)-1-methyl-1,2,4-triazole-3-carboxylic acid Formula: C8H11N3O3S MolecularWeight: 229.25624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)C(=O)O)CCCC(=O)S

Isomeric SMILES

CN1C(=NC(=N1)C(=O)O)CCCC(=O)S

InChI

InChI=1S/C8H11N3O3S/c1-11-5(3-2-4-6(12)15)9-7(10-11)8(13)14/h2-4H2,1H3,(H,12,15)(H,13,14)