4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-methyl-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H16BrN5O3S MolecularWeight: 474.33104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN5O3S/c1-12-2-7-16(25(27)28)8-17(12)22-19(29)23-18(26)14-5-3-13(4-6-14)10-24-11-15(20)9-21-24/h2-9,11H,10H2,1H3,(H2,22,23,26,29)