2-[[4-ethyl-5-[4-(methylsulfonylamino)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-ethyl-5-[4-(methylsulfonylamino)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-[4-(methanesulfonamido)phenyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C13H15N4O4S2- MolecularWeight: 355.4126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)[O-])C2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C13H16N4O4S2/c1-3-17-12(14-15-13(17)22-8-11(18)19)9-4-6-10(7-5-9)16-23(2,20)21/h4-7,16H,3,8H2,1-2H3,(H,18,19)/p-1