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

Systemtic Name: dipropyl 2-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanedioate Openeye Name: dipropyl 2-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]sulfanyl]propanedioate CAS Name: 2-[[5-butan-2-yl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]propanedioic acid dipropyl ester IUPAC Name: dipropyl 2-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanedioate Traditional Name: 2-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]thio]malonic acid dipropyl ester Formula: C18H30N4O5S MolecularWeight: 414.5196

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C(C(=O)OCCC)SC1=NC(=NN1C(=O)N(C)C)C(C)CC

Isomeric SMILES

CCCOC(=O)C(C(=O)OCCC)SC1=NC(=NN1C(=O)N(C)C)C(C)CC

InChI

InChI=1S/C18H30N4O5S/c1-7-10-26-15(23)13(16(24)27-11-8-2)28-17-19-14(12(4)9-3)20-22(17)18(25)21(5)6/h12-13H,7-11H2,1-6H3