2-[[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)ethanamide

Systemtic Name: 2-[[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)ethanamide Openeye Name: 2-[[4-(p-tolyl)-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide CAS Name: 2-[[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-sulfamoylphenyl)acetamide IUPAC Name: 2-[[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide Traditional Name: 2-[[4-(p-tolyl)-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(4-sulfamoylphenyl)acetamide Formula: C22H21N5O3S3 MolecularWeight: 499.62884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)CC4=CC=CS4

InChI

InChI=1S/C22H21N5O3S3/c1-15-4-8-17(9-5-15)27-20(13-18-3-2-12-31-18)25-26-22(27)32-14-21(28)24-16-6-10-19(11-7-16)33(23,29)30/h2-12H,13-14H2,1H3,(H,24,28)(H2,23,29,30)