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

Systemtic Name: ethyl 2-[[2-(dimethylcarbamoyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[2-(dimethylcarbamoyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[2-[dimethylamino(oxo)methyl]-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(dimethylcarbamoyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[2-(dimethylcarbamoyl)-5-isopropyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C12H20N4O3S MolecularWeight: 300.3772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=NN1C(=O)N(C)C)C(C)C

Isomeric SMILES

CCOC(=O)CSC1=NC(=NN1C(=O)N(C)C)C(C)C

InChI

InChI=1S/C12H20N4O3S/c1-6-19-9(17)7-20-11-13-10(8(2)3)14-16(11)12(18)15(4)5/h8H,6-7H2,1-5H3