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

Systemtic Name: ethyl 1-[4-(cyclohexylcarbamothioylsulfamoyl)phenyl]-5-[(E)-1,2-diphenylethenyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(cyclohexylcarbamothioylsulfamoyl)phenyl]-5-[(E)-1,2-diphenylvinyl]pyrazole-3-carboxylate CAS Name: 1-[4-[[(cyclohexylamino)-sulfanylidenemethyl]sulfamoyl]phenyl]-5-[(E)-1,2-diphenylethenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(cyclohexylcarbamothioylsulfamoyl)phenyl]-5-[(E)-1,2-diphenylethenyl]pyrazole-3-carboxylate Traditional Name: 1-[4-(cyclohexylthiocarbamoylsulfamoyl)phenyl]-5-[(E)-1,2-diphenylvinyl]pyrazole-3-carboxylic acid ethyl ester Formula: C33H34N4O4S2 MolecularWeight: 614.77746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C(=CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)NC(=S)NC5CCCCC5

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)NC(=S)NC5CCCCC5

InChI

InChI=1S/C33H34N4O4S2/c1-2-41-32(38)30-23-31(29(25-14-8-4-9-15-25)22-24-12-6-3-7-13-24)37(35-30)27-18-20-28(21-19-27)43(39,40)36-33(42)34-26-16-10-5-11-17-26/h3-4,6-9,12-15,18-23,26H,2,5,10-11,16-17H2,1H3,(H2,34,36,42)/b29-22+