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

Systemtic Name: 2-[(4-pentyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-pentyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-pentyl-5-propyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-pentyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-amyl-5-propyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C12H21N3O2S MolecularWeight: 271.37904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NN=C1SCC(=O)O)CCC

Isomeric SMILES

CCCCCN1C(=NN=C1SCC(=O)O)CCC

InChI

InChI=1S/C12H21N3O2S/c1-3-5-6-8-15-10(7-4-2)13-14-12(15)18-9-11(16)17/h3-9H2,1-2H3,(H,16,17)