ethyl 5-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]sulfamoyl]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]sulfamoyl]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]sulfamoyl]-1H-pyrazole-4-carboxylate CAS Name: 5-[[4-[(1-methyl-2-imidazolyl)thio]phenyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]sulfamoyl]-1H-pyrazole-4-carboxylate Traditional Name: 5-[[4-[(1-methylimidazol-2-yl)thio]phenyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C16H17N5O4S2 MolecularWeight: 407.46728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O4S2/c1-3-25-15(22)13-10-18-19-14(13)27(23,24)20-11-4-6-12(7-5-11)26-16-17-8-9-21(16)2/h4-10,20H,3H2,1-2H3,(H,18,19)