3,4-dimethyl-5-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoate

Systemtic Name: 3,4-dimethyl-5-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoate Openeye Name: 3,4-dimethyl-5-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoate CAS Name: 3,4-dimethyl-5-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]sulfamoyl]benzoate IUPAC Name: 3,4-dimethyl-5-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoate Traditional Name: 3,4-dimethyl-5-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]sulfamoyl]benzoate Formula: C18H17N4O4S2- MolecularWeight: 417.48198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)SC3=NN=CN3C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)SC3=NN=CN3C)C

InChI

InChI=1S/C18H18N4O4S2/c1-11-8-13(17(23)24)9-16(12(11)2)28(25,26)21-14-4-6-15(7-5-14)27-18-20-19-10-22(18)3/h4-10,21H,1-3H3,(H,23,24)/p-1