ethyl 1-[4-[(phenylmethyl)carbamothioylsulfamoyl]phenyl]-5-[(E)-1-phenylprop-1-en-2-yl]pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[4-[(phenylmethyl)carbamothioylsulfamoyl]phenyl]-5-[(E)-1-phenylprop-1-en-2-yl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(benzylcarbamothioylsulfamoyl)phenyl]-5-[(E)-1-methyl-2-phenyl-vinyl]pyrazole-3-carboxylate CAS Name: 1-[4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]sulfamoyl]phenyl]-5-[(E)-1-phenylprop-1-en-2-yl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(benzylcarbamothioylsulfamoyl)phenyl]-5-[(E)-1-phenylprop-1-en-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[4-(benzylthiocarbamoylsulfamoyl)phenyl]-5-[(E)-1-methyl-2-phenyl-vinyl]pyrazole-3-carboxylic acid ethyl ester Formula: C29H28N4O4S2 MolecularWeight: 560.68702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C(=CC2=CC=CC=C2)C)C3=CC=C(C=C3)S(=O)(=O)NC(=S)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)/C(=C/C2=CC=CC=C2)/C)C3=CC=C(C=C3)S(=O)(=O)NC(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C29H28N4O4S2/c1-3-37-28(34)26-19-27(21(2)18-22-10-6-4-7-11-22)33(31-26)24-14-16-25(17-15-24)39(35,36)32-29(38)30-20-23-12-8-5-9-13-23/h4-19H,3,20H2,1-2H3,(H2,30,32,38)/b21-18+