2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-sulfamoylphenyl)propanamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-sulfamoylphenyl)propionamide Formula: C17H17BrN6O3S2 MolecularWeight: 497.38928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)SC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)SC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C17H17BrN6O3S2/c1-10(16(25)21-11-5-4-6-12(9-11)29(20,26)27)28-17-23-22-15(24(17)19)13-7-2-3-8-14(13)18/h2-10H,19H2,1H3,(H,21,25)(H2,20,26,27)