N4-[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]benzene-1,4-disulfonamide

Systemtic Name: N4-[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]benzene-1,4-disulfonamide Openeye Name: N4-[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]benzene-1,4-disulfonamide CAS Name: N4-[3-[3-(methylthio)-1,2,4-triazol-4-yl]phenyl]benzene-1,4-disulfonamide IUPAC Name: 4-N-[3-(3-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]benzene-1,4-disulfonamide Traditional Name: N'-[3-[3-(methylthio)-1,2,4-triazol-4-yl]phenyl]benzene-1,4-disulfonamide Formula: C15H15N5O4S3 MolecularWeight: 425.5057

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=CN1C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CSC1=NN=CN1C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C15H15N5O4S3/c1-25-15-18-17-10-20(15)12-4-2-3-11(9-12)19-27(23,24)14-7-5-13(6-8-14)26(16,21)22/h2-10,19H,1H3,(H2,16,21,22)