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

Systemtic Name: ethyl 5-[(E)-1,2-diphenylethenyl]-1-[4-(ethylcarbamothioylsulfamoyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-[(E)-1,2-diphenylvinyl]-1-[4-(ethylcarbamothioylsulfamoyl)phenyl]pyrazole-3-carboxylate CAS Name: 5-[(E)-1,2-diphenylethenyl]-1-[4-[[ethylamino(sulfanylidene)methyl]sulfamoyl]phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-1,2-diphenylethenyl]-1-[4-(ethylcarbamothioylsulfamoyl)phenyl]pyrazole-3-carboxylate Traditional Name: 5-[(E)-1,2-diphenylvinyl]-1-[4-(ethylthiocarbamoylsulfamoyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C29H28N4O4S2 MolecularWeight: 560.68702

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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)C4=CC=CC=C4

Isomeric SMILES

CCNC(=S)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(=O)OCC)/C(=C/C3=CC=CC=C3)/C4=CC=CC=C4

InChI

InChI=1S/C29H28N4O4S2/c1-3-30-29(38)32-39(35,36)24-17-15-23(16-18-24)33-27(20-26(31-33)28(34)37-4-2)25(22-13-9-6-10-14-22)19-21-11-7-5-8-12-21/h5-20H,3-4H2,1-2H3,(H2,30,32,38)/b25-19+