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

Systemtic Name: 2-[(4-butan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-sec-butyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-butan-2-yl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-butan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-sec-butyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C8H13N3O2S MolecularWeight: 215.27272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13N3O2S/c1-3-6(2)11-5-9-10-8(11)14-4-7(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)