methyl 3-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]sulfamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]sulfamoyl]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]sulfamoyl]thiophene-2-carboxylate CAS Name: 3-[[1-(1-benzotriazolylmethyl)-4-pyrazolyl]sulfamoyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]sulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]sulfamoyl]thiophene-2-carboxylic acid methyl ester Formula: C16H14N6O4S2 MolecularWeight: 418.45016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H14N6O4S2/c1-26-16(23)15-14(6-7-27-15)28(24,25)19-11-8-17-21(9-11)10-22-13-5-3-2-4-12(13)18-20-22/h2-9,19H,10H2,1H3