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

Systemtic Name: 2-[(4-phenyl-5-tridecyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-phenyl-5-tridecyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-phenyl-5-tridecyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-phenyl-5-tridecyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-phenyl-5-tridecyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C23H35N3O2S MolecularWeight: 417.6079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)O

InChI

InChI=1S/C23H35N3O2S/c1-2-3-4-5-6-7-8-9-10-11-15-18-21-24-25-23(29-19-22(27)28)26(21)20-16-13-12-14-17-20/h12-14,16-17H,2-11,15,18-19H2,1H3,(H,27,28)