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

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(4-iodanyl-2-methyl-phenyl)carbamothioyl]benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(4-iodo-2-methyl-phenyl)carbamothioyl]benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[(4-iodo-2-methylanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(4-iodo-2-methylphenyl)carbamothioyl]benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(4-iodo-2-methyl-phenyl)thiocarbamoyl]benzamide Formula: C19H16BrIN4OS MolecularWeight: 555.23001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrIN4OS/c1-12-8-16(21)6-7-17(12)23-19(27)24-18(26)14-4-2-13(3-5-14)10-25-11-15(20)9-22-25/h2-9,11H,10H2,1H3,(H2,23,24,26,27)