2-[[5-methyl-4-(3-methylbutan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-methyl-4-(3-methylbutan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(1,2-dimethylpropyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-methyl-4-(3-methylbutan-2-yl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-methyl-4-(3-methylbutan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(1,2-dimethylpropyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C10H17N3O2S MolecularWeight: 243.32588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C(C)C(C)C)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C(C)C(C)C)SCC(=O)O

InChI

InChI=1S/C10H17N3O2S/c1-6(2)7(3)13-8(4)11-12-10(13)16-5-9(14)15/h6-7H,5H2,1-4H3,(H,14,15)