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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NN(C(=N1)SCC(=O)OC)C(=O)N(C)C

Isomeric SMILES

CCC(C)C1=NN(C(=N1)SCC(=O)OC)C(=O)N(C)C

InChI

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