ethyl 4-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoate

Systemtic Name: ethyl 4-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoate Openeye Name: ethyl 4-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoate CAS Name: 4-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]sulfamoyl]benzoate Traditional Name: 4-[[4-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]sulfamoyl]benzoic acid ethyl ester Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC3=NN=CN3C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC3=NN=CN3C

InChI

InChI=1S/C18H18N4O4S2/c1-3-26-17(23)13-4-10-16(11-5-13)28(24,25)21-14-6-8-15(9-7-14)27-18-20-19-12-22(18)2/h4-12,21H,3H2,1-2H3