3-(4-bromophenyl)-1-phenyl-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]pyrazole-4-carboxamide

Systemtic Name: 3-(4-bromophenyl)-1-phenyl-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]pyrazole-4-carboxamide Openeye Name: 3-(4-bromophenyl)-1-phenyl-N-[(pyridine-4-carbonylamino)carbamothioyl]pyrazole-4-carboxamide CAS Name: 3-(4-bromophenyl)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-bromophenyl)-1-phenyl-N-[(pyridine-4-carbonylamino)carbamothioyl]pyrazole-4-carboxamide Traditional Name: 3-(4-bromophenyl)-N-(isonicotinamidothiocarbamoyl)-1-phenyl-pyrazole-4-carboxamide Formula: C23H17BrN6O2S MolecularWeight: 521.38908

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)NNC(=O)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C(=O)NC(=S)NNC(=O)C4=CC=NC=C4

InChI

InChI=1S/C23H17BrN6O2S/c24-17-8-6-15(7-9-17)20-19(14-30(29-20)18-4-2-1-3-5-18)22(32)26-23(33)28-27-21(31)16-10-12-25-13-11-16/h1-14H,(H,27,31)(H2,26,28,32,33)