3-(4-bromophenyl)-1-phenyl-N-(pyrimidin-2-ylcarbamothioyl)pyrazole-4-carboxamide

Systemtic Name: 3-(4-bromophenyl)-1-phenyl-N-(pyrimidin-2-ylcarbamothioyl)pyrazole-4-carboxamide Openeye Name: 3-(4-bromophenyl)-1-phenyl-N-(pyrimidin-2-ylcarbamothioyl)pyrazole-4-carboxamide CAS Name: 3-(4-bromophenyl)-1-phenyl-N-[(2-pyrimidinylamino)-sulfanylidenemethyl]-4-pyrazolecarboxamide IUPAC Name: 3-(4-bromophenyl)-1-phenyl-N-(pyrimidin-2-ylcarbamothioyl)pyrazole-4-carboxamide Traditional Name: 3-(4-bromophenyl)-1-phenyl-N-(2-pyrimidylthiocarbamoyl)pyrazole-4-carboxamide Formula: C21H15BrN6OS MolecularWeight: 479.3524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C(=O)NC(=S)NC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C(=O)NC(=S)NC4=NC=CC=N4

InChI

InChI=1S/C21H15BrN6OS/c22-15-9-7-14(8-10-15)18-17(13-28(27-18)16-5-2-1-3-6-16)19(29)25-21(30)26-20-23-11-4-12-24-20/h1-13H,(H2,23,24,25,26,29,30)