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

Systemtic Name: 2-[(4-butyl-5-heptyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-butyl-5-heptyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-butyl-5-heptyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-butyl-5-heptyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-butyl-5-heptyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C15H27N3O2S MolecularWeight: 313.45878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(N1CCCC)SCC(=O)O

Isomeric SMILES

CCCCCCCC1=NN=C(N1CCCC)SCC(=O)O

InChI

InChI=1S/C15H27N3O2S/c1-3-5-7-8-9-10-13-16-17-15(21-12-14(19)20)18(13)11-6-4-2/h3-12H2,1-2H3,(H,19,20)