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

Systemtic Name: 2-[[4-(3-methylbutan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(1,2-dimethylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3-methylbutan-2-yl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3-methylbutan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(1,2-dimethylpropyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C9H15N3O2S MolecularWeight: 229.2993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)N1C=NN=C1SCC(=O)O

Isomeric SMILES

CC(C)C(C)N1C=NN=C1SCC(=O)O

InChI

InChI=1S/C9H15N3O2S/c1-6(2)7(3)12-5-10-11-9(12)15-4-8(13)14/h5-7H,4H2,1-3H3,(H,13,14)