methyl 1-methyl-5-(4-methylsulfanyl-4-oxidanylidene-butyl)-1,2,4-triazole-3-carboxylate

Systemtic Name: methyl 1-methyl-5-(4-methylsulfanyl-4-oxidanylidene-butyl)-1,2,4-triazole-3-carboxylate Openeye Name: methyl 1-methyl-5-(4-methylsulfanyl-4-oxo-butyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-methyl-5-[4-(methylthio)-4-oxobutyl]-1,2,4-triazole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-methyl-5-(4-methylsulfanyl-4-oxobutyl)-1,2,4-triazole-3-carboxylate Traditional Name: 5-[4-keto-4-(methylthio)butyl]-1-methyl-1,2,4-triazole-3-carboxylic acid methyl ester Formula: C10H15N3O3S MolecularWeight: 257.3094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)C(=O)OC)CCCC(=O)SC

Isomeric SMILES

CN1C(=NC(=N1)C(=O)OC)CCCC(=O)SC

InChI

InChI=1S/C10H15N3O3S/c1-13-7(5-4-6-8(14)17-3)11-9(12-13)10(15)16-2/h4-6H2,1-3H3