5-[[6-azanylidene-3-(4-chlorophenyl)pyridazin-1-yl]methyl]-1,2-thiazol-3-one hydrobromide

Systemtic Name: 5-[[6-azanylidene-3-(4-chlorophenyl)pyridazin-1-yl]methyl]-1,2-thiazol-3-one hydrobromide Openeye Name: 5-[[3-(4-chlorophenyl)-6-imino-pyridazin-1-yl]methyl]isothiazol-3-one hydrobromide CAS Name: 5-[[3-(4-chlorophenyl)-6-imino-1-pyridazinyl]methyl]-3-isothiazolone hydrobromide IUPAC Name: 5-[[3-(4-chlorophenyl)-6-iminopyridazin-1-yl]methyl]-1,2-thiazol-3-one hydrobromide Traditional Name: 5-[[3-(4-chlorophenyl)-6-imino-pyridazin-1-yl]methyl]-4-isothiazolin-3-one hydrobromide Formula: C14H12BrClN4OS MolecularWeight: 399.69328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=N)C=C2)CC3=CC(=O)NS3)Cl.Br

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(=N)C=C2)CC3=CC(=O)NS3)Cl.Br

InChI

InChI=1S/C14H11ClN4OS.BrH/c15-10-3-1-9(2-4-10)12-5-6-13(16)19(17-12)8-11-7-14(20)18-21-11;/h1-7,16H,8H2,(H,18,20);1H