ethyl 1-[4-(ethylcarbamothioylsulfamoyl)phenyl]-5-[(E)-2-phenylethenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[4-(ethylcarbamothioylsulfamoyl)phenyl]-5-[(E)-2-phenylethenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(ethylcarbamothioylsulfamoyl)phenyl]-5-[(E)-styryl]pyrazole-3-carboxylate CAS Name: 1-[4-[[ethylamino(sulfanylidene)methyl]sulfamoyl]phenyl]-5-[(E)-2-phenylethenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(ethylcarbamothioylsulfamoyl)phenyl]-5-[(E)-2-phenylethenyl]pyrazole-3-carboxylate Traditional Name: 1-[4-(ethylthiocarbamoylsulfamoyl)phenyl]-5-[(E)-styryl]pyrazole-3-carboxylic acid ethyl ester Formula: C23H24N4O4S2 MolecularWeight: 484.59106

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)OCC)C=CC3=CC=CC=C3

Isomeric SMILES

CCNC(=S)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)OCC)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H24N4O4S2/c1-3-24-23(32)26-33(29,30)20-14-12-18(13-15-20)27-19(11-10-17-8-6-5-7-9-17)16-21(25-27)22(28)31-4-2/h5-16H,3-4H2,1-2H3,(H2,24,26,32)/b11-10+