3-(4-bromophenyl)-1-phenyl-N-(phenylazanylcarbamothioyl)pyrazole-4-carboxamide

Systemtic Name: 3-(4-bromophenyl)-1-phenyl-N-(phenylazanylcarbamothioyl)pyrazole-4-carboxamide Openeye Name: N-(anilinocarbamothioyl)-3-(4-bromophenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(4-bromophenyl)-1-phenyl-N-[(phenylhydrazo)-sulfanylidenemethyl]-4-pyrazolecarboxamide IUPAC Name: N-(anilinocarbamothioyl)-3-(4-bromophenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(anilinothiocarbamoyl)-3-(4-bromophenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C23H18BrN5OS MolecularWeight: 492.39092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NNC(=S)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NNC(=S)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H18BrN5OS/c24-17-13-11-16(12-14-17)21-20(15-29(28-21)19-9-5-2-6-10-19)22(30)25-23(31)27-26-18-7-3-1-4-8-18/h1-15,26H,(H2,25,27,30,31)