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

Systemtic Name: methyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-tert-butyl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-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:

CC(C(=O)OC)SC1=NC(=NN1C(=O)N(C)C)C(C)(C)C

Isomeric SMILES

CC(C(=O)OC)SC1=NC(=NN1C(=O)N(C)C)C(C)(C)C

InChI

InChI=1S/C13H22N4O3S/c1-8(9(18)20-7)21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h8H,1-7H3