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

Systemtic Name: 3-(4-bromophenyl)-N-[(4-fluorophenyl)carbamothioyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(4-bromophenyl)-N-[(4-fluorophenyl)carbamothioyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(4-bromophenyl)-N-[(4-fluoroanilino)-sulfanylidenemethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-bromophenyl)-N-[(4-fluorophenyl)carbamothioyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(4-bromophenyl)-N-[(4-fluorophenyl)thiocarbamoyl]-1-phenyl-pyrazole-4-carboxamide Formula: C23H16BrFN4OS MolecularWeight: 495.366743

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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=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C(=O)NC(=S)NC4=CC=C(C=C4)F

InChI

InChI=1S/C23H16BrFN4OS/c24-16-8-6-15(7-9-16)21-20(14-29(28-21)19-4-2-1-3-5-19)22(30)27-23(31)26-18-12-10-17(25)11-13-18/h1-14H,(H2,26,27,30,31)