2-[[4-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-methyl-5-(4-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-methyl-5-[4-(4-morpholinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-methyl-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-methyl-5-(4-morpholinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C15H18N4O5S2 MolecularWeight: 398.45722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C15H18N4O5S2/c1-18-14(16-17-15(18)25-10-13(20)21)11-2-4-12(5-3-11)26(22,23)19-6-8-24-9-7-19/h2-5H,6-10H2,1H3,(H,20,21)