4-[(4-bromanylpyrazol-1-yl)methyl]-N-(pyridin-2-ylcarbamothioyl)benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-(pyridin-2-ylcarbamothioyl)benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-pyridylcarbamothioyl)benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[(2-pyridinylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-2-ylcarbamothioyl)benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-pyridylthiocarbamoyl)benzamide Formula: C17H14BrN5OS MolecularWeight: 416.29496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN5OS/c18-14-9-20-23(11-14)10-12-4-6-13(7-5-12)16(24)22-17(25)21-15-3-1-2-8-19-15/h1-9,11H,10H2,(H2,19,21,22,24,25)