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

Systemtic Name: ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C14H24N4O3S MolecularWeight: 328.43036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N4O3S/c1-8-21-10(19)9(2)22-12-15-11(14(3,4)5)16-18(12)13(20)17(6)7/h9H,8H2,1-7H3