2-[3-methylsulfanyl-5-(methylsulfonylamino)-1,2,4-triazol-1-yl]-4-(trioxidanylsulfanyl)benzenesulfonic acid

Systemtic Name: 2-[3-methylsulfanyl-5-(methylsulfonylamino)-1,2,4-triazol-1-yl]-4-(trioxidanylsulfanyl)benzenesulfonic acid Openeye Name: 2-[5-(methanesulfonamido)-3-methylsulfanyl-1,2,4-triazol-1-yl]-4-(trioxidanylsulfanyl)benzenesulfonic acid CAS Name: 2-[5-(methanesulfonamido)-3-(methylthio)-1,2,4-triazol-1-yl]-4-(trioxidanylthio)benzenesulfonic acid IUPAC Name: 2-[5-(methanesulfonamido)-3-methylsulfanyl-1,2,4-triazol-1-yl]-4-(trioxidanylsulfanyl)benzenesulfonic acid Traditional Name: 2-[5-(methanesulfonamido)-3-(methylthio)-1,2,4-triazol-1-yl]-4-(trioxidanylthio)besylic acid Formula: C10H12N4O8S4 MolecularWeight: 444.48428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=N1)NS(=O)(=O)C)C2=C(C=CC(=C2)SOOO)S(=O)(=O)O

Isomeric SMILES

CSC1=NN(C(=N1)NS(=O)(=O)C)C2=C(C=CC(=C2)SOOO)S(=O)(=O)O

InChI

InChI=1S/C10H12N4O8S4/c1-23-10-11-9(13-25(2,16)17)14(12-10)7-5-6(24-22-21-15)3-4-8(7)26(18,19)20/h3-5,15H,1-2H3,(H,11,12,13)(H,18,19,20)