1-[3-(dimethylsulfamoyl)phenyl]-3-(2-phenyl-3,4-dihydropyrazol-5-yl)thiourea

Systemtic Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-(2-phenyl-3,4-dihydropyrazol-5-yl)thiourea Openeye Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-(2-phenyl-3,4-dihydropyrazol-5-yl)thiourea CAS Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-(2-phenyl-3,4-dihydropyrazol-5-yl)thiourea IUPAC Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-(2-phenyl-3,4-dihydropyrazol-5-yl)thiourea Traditional Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-(1-phenyl-2-pyrazolin-3-yl)thiourea Formula: C18H21N5O2S2 MolecularWeight: 403.52164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NC2=NN(CC2)C3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NC2=NN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N5O2S2/c1-22(2)27(24,25)16-10-6-7-14(13-16)19-18(26)20-17-11-12-23(21-17)15-8-4-3-5-9-15/h3-10,13H,11-12H2,1-2H3,(H2,19,20,21,26)