4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(3-methylphenyl)carbamothioyl]benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(3-methylphenyl)carbamothioyl]benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(m-tolylcarbamothioyl)benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[(3-methylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(3-methylphenyl)carbamothioyl]benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(m-tolylthiocarbamoyl)benzamide Formula: C19H17BrN4OS MolecularWeight: 429.33348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br

InChI

InChI=1S/C19H17BrN4OS/c1-13-3-2-4-17(9-13)22-19(26)23-18(25)15-7-5-14(6-8-15)11-24-12-16(20)10-21-24/h2-10,12H,11H2,1H3,(H2,22,23,25,26)