4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(phenylmethyl)carbamothioyl]benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-(benzylcarbamothioyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[[(phenylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-(benzylcarbamothioyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide Traditional Name: N-(benzylthiocarbamoyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide Formula: C19H17BrN4OS MolecularWeight: 429.33348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br

InChI

InChI=1S/C19H17BrN4OS/c20-17-11-22-24(13-17)12-15-6-8-16(9-7-15)18(25)23-19(26)21-10-14-4-2-1-3-5-14/h1-9,11,13H,10,12H2,(H2,21,23,25,26)