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

Systemtic Name: 1-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]ethylsulfonylmethyl ethanoate Openeye Name: 1-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]sulfanyl]ethylsulfonylmethyl acetate CAS Name: acetic acid 1-[[5-butan-2-yl-2-[dimethylamino(oxo)methyl]-1,2,4-triazol-3-yl]thio]ethylsulfonylmethyl ester IUPAC Name: 1-[[5-butan-2-yl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]ethylsulfonylmethyl acetate Traditional Name: acetic acid 1-[[2-(dimethylcarbamoyl)-5-sec-butyl-1,2,4-triazol-3-yl]thio]ethylsulfonylmethyl ester Formula: C14H24N4O5S2 MolecularWeight: 392.49416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NN(C(=N1)SC(C)S(=O)(=O)COC(=O)C)C(=O)N(C)C

Isomeric SMILES

CCC(C)C1=NN(C(=N1)SC(C)S(=O)(=O)COC(=O)C)C(=O)N(C)C

InChI

InChI=1S/C14H24N4O5S2/c1-7-9(2)12-15-13(18(16-12)14(20)17(5)6)24-11(4)25(21,22)8-23-10(3)19/h9,11H,7-8H2,1-6H3