methyl 2-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-butan-2-yl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NN(C(=N1)SC(C)C(=O)OC)C(=O)N(C)C

Isomeric SMILES

CCC(C)C1=NN(C(=N1)SC(C)C(=O)OC)C(=O)N(C)C

InChI

InChI=1S/C13H22N4O3S/c1-7-8(2)10-14-12(21-9(3)11(18)20-6)17(15-10)13(19)16(4)5/h8-9H,7H2,1-6H3