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

Systemtic Name: ethyl 1-[4-(butylcarbamothioylsulfamoyl)phenyl]-5-[(E)-1-phenylprop-1-en-2-yl]pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(butylcarbamothioylsulfamoyl)phenyl]-5-[(E)-1-methyl-2-phenyl-vinyl]pyrazole-3-carboxylate CAS Name: 1-[4-[[butylamino(sulfanylidene)methyl]sulfamoyl]phenyl]-5-[(E)-1-phenylprop-1-en-2-yl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(butylcarbamothioylsulfamoyl)phenyl]-5-[(E)-1-phenylprop-1-en-2-yl]pyrazole-3-carboxylate Traditional Name: 1-[4-(butylthiocarbamoylsulfamoyl)phenyl]-5-[(E)-1-methyl-2-phenyl-vinyl]pyrazole-3-carboxylic acid ethyl ester Formula: C26H30N4O4S2 MolecularWeight: 526.6708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O4S2/c1-4-6-16-27-26(35)29-36(32,33)22-14-12-21(13-15-22)30-24(18-23(28-30)25(31)34-5-2)19(3)17-20-10-8-7-9-11-20/h7-15,17-18H,4-6,16H2,1-3H3,(H2,27,29,35)/b19-17+