(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl N'-[(phenylmethylidene)amino]carbamimidothioate hydrobromide

Systemtic Name: (4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl N'-[(phenylmethylidene)amino]carbamimidothioate hydrobromide Openeye Name: 3-(benzylideneamino)-2-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl]isothiourea hydrobromide CAS Name: N'-[(phenylmethylene)amino]carbamimidothioic acid (4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methyl ester hydrobromide IUPAC Name: (4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl N'-(benzylideneamino)carbamimidothioate hydrobromide Traditional Name: 3-(benzalamino)-2-[(4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methyl]isothiourea hydrobromide Formula: C19H19Br2N5OS MolecularWeight: 525.26006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CSC(=NN=CC3=CC=CC=C3)N.Br

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CS/C(=N/N=CC3=CC=CC=C3)/N.Br

InChI

InChI=1S/C19H18BrN5OS.BrH/c1-24-16(17(20)18(26)25(24)15-10-6-3-7-11-15)13-27-19(21)23-22-12-14-8-4-2-5-9-14;/h2-12H,13H2,1H3,(H2,21,23);1H