2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]ethanamide

Systemtic Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]ethanamide Openeye Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide CAS Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide IUPAC Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide Traditional Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(4-sulfamoylbenzyl)acetamide Formula: C18H19N5O4S2 MolecularWeight: 433.50456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H19N5O4S2/c1-27-14-6-4-13(5-7-14)17-21-22-18(28)23(17)11-16(24)20-10-12-2-8-15(9-3-12)29(19,25)26/h2-9H,10-11H2,1H3,(H,20,24)(H,22,28)(H2,19,25,26)