ethyl 5-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[3-[2-(2-thienyl)ethynyl]phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate CAS Name: 5-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(2-thiophen-2-ylethynyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate Traditional Name: 5-[[3-[2-(2-thienyl)ethynyl]phenyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

InChI

InChI=1S/C18H15N3O4S2/c1-2-25-18(22)16-12-19-20-17(16)27(23,24)21-14-6-3-5-13(11-14)8-9-15-7-4-10-26-15/h3-7,10-12,21H,2H2,1H3,(H,19,20)