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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NC(=NN1C(=O)N(C)C)C(C)C

Isomeric SMILES

CCOC(=O)C(C)SC1=NC(=NN1C(=O)N(C)C)C(C)C

InChI

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