4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[(2,4-dimethyl-6-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2,4-dimethyl-6-nitro-phenyl)thiocarbamoyl]benzamide Formula: C20H18BrN5O3S MolecularWeight: 488.35762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br)C

InChI

InChI=1S/C20H18BrN5O3S/c1-12-7-13(2)18(17(8-12)26(28)29)23-20(30)24-19(27)15-5-3-14(4-6-15)10-25-11-16(21)9-22-25/h3-9,11H,10H2,1-2H3,(H2,23,24,27,30)