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

Systemtic Name: (2R)-2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: (2R)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide CAS Name: (2R)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: (2R)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: (2R)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-sulfamoylphenyl)propionamide Formula: C17H18N6O3S2 MolecularWeight: 418.49322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NN=C(N2N)C3=CC=CC=C3

InChI

InChI=1S/C17H18N6O3S2/c1-11(16(24)20-13-7-9-14(10-8-13)28(19,25)26)27-17-22-21-15(23(17)18)12-5-3-2-4-6-12/h2-11H,18H2,1H3,(H,20,24)(H2,19,25,26)/t11-/m1/s1