4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(2-iodanylphenyl)carbamothioyl]benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(2-iodanylphenyl)carbamothioyl]benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-iodophenyl)carbamothioyl]benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[(2-iodoanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-iodophenyl)carbamothioyl]benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-iodophenyl)thiocarbamoyl]benzamide Formula: C18H14BrIN4OS MolecularWeight: 541.20343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrIN4OS/c19-14-9-21-24(11-14)10-12-5-7-13(8-6-12)17(25)23-18(26)22-16-4-2-1-3-15(16)20/h1-9,11H,10H2,(H2,22,23,25,26)