ethyl 5-(phenylmethyl)-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxylate Openeye Name: ethyl 5-benzyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxylate CAS Name: 5-(phenylmethyl)-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxylate Traditional Name: 5-benzyl-1-(4-sulfamoylphenyl)-1,2,4-triazole-3-carboxylic acid ethyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=N1)CC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=NN(C(=N1)CC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H18N4O4S/c1-2-26-18(23)17-20-16(12-13-6-4-3-5-7-13)22(21-17)14-8-10-15(11-9-14)27(19,24)25/h3-11H,2,12H2,1H3,(H2,19,24,25)