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

Systemtic Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide CAS Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: 2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-sulfamoylphenyl)propionamide Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C17H17N5O3S2/c1-12(16(23)20-13-7-9-15(10-8-13)27(18,24)25)26-17-21-19-11-22(17)14-5-3-2-4-6-14/h2-12H,1H3,(H,20,23)(H2,18,24,25)