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

Systemtic Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl ethanoate Openeye Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl acetate CAS Name: acetic acid 2-[[5-tert-butyl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]ethyl ester IUPAC Name: 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]thio]ethyl ester Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCSC1=NC(=NN1C(=O)N(C)C)C(C)(C)C

Isomeric SMILES

CC(=O)OCCSC1=NC(=NN1C(=O)N(C)C)C(C)(C)C

InChI

InChI=1S/C13H22N4O3S/c1-9(18)20-7-8-21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h7-8H2,1-6H3