3-(3-carbamimidoylphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 3-(3-carbamimidoylphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: 3-(3-carbamimidoylphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide CAS Name: 3-(3-carbamimidoylphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]-4-triazolecarboxamide IUPAC Name: 3-(3-carbamimidoylphenyl)-N-[2-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide Traditional Name: 3-(3-amidinophenyl)-N-[2-(2-sulfamoylphenyl)phenyl]triazole-4-carboxamide Formula: C22H19N7O3S MolecularWeight: 461.49636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=CC=C2S(=O)(=O)N)NC(=O)C3=CN=NN3C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=CC=C2S(=O)(=O)N)NC(=O)C3=CN=NN3C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C22H19N7O3S/c23-21(24)14-6-5-7-15(12-14)29-19(13-26-28-29)22(30)27-18-10-3-1-8-16(18)17-9-2-4-11-20(17)33(25,31)32/h1-13H,(H3,23,24)(H,27,30)(H2,25,31,32)