5-butyl-2-(dimethylcarbamoyl)-3-methylsulfanyl-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: 5-butyl-2-(dimethylcarbamoyl)-3-methylsulfanyl-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 5-butyl-2-(dimethylcarbamoyl)-3-methylsulfanyl-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 5-butyl-2-[dimethylamino(oxo)methyl]-3-(methylthio)-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 5-butyl-2-(dimethylcarbamoyl)-3-methylsulfanyl-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 5-butyl-2-(dimethylcarbamoyl)-3-(methylthio)-1H-1,2,4-triazole-5-carboxylic acid Formula: C11H20N4O3S MolecularWeight: 288.3665

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(NN(C(=N1)SC)C(=O)N(C)C)C(=O)O

Isomeric SMILES

CCCCC1(NN(C(=N1)SC)C(=O)N(C)C)C(=O)O

InChI

InChI=1S/C11H20N4O3S/c1-5-6-7-11(8(16)17)12-9(19-4)15(13-11)10(18)14(2)3/h13H,5-7H2,1-4H3,(H,16,17)