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

Systemtic Name: 5-[[6-azanylidene-3-(1,3-benzodioxol-5-yl)pyridazin-1-yl]methyl]-1,2-thiazol-3-one hydrobromide Openeye Name: 5-[[3-(1,3-benzodioxol-5-yl)-6-imino-pyridazin-1-yl]methyl]isothiazol-3-one hydrobromide CAS Name: 5-[[3-(1,3-benzodioxol-5-yl)-6-imino-1-pyridazinyl]methyl]-3-isothiazolone hydrobromide IUPAC Name: 5-[[3-(1,3-benzodioxol-5-yl)-6-iminopyridazin-1-yl]methyl]-1,2-thiazol-3-one hydrobromide Traditional Name: 5-[[3-(1,3-benzodioxol-5-yl)-6-imino-pyridazin-1-yl]methyl]-4-isothiazolin-3-one hydrobromide Formula: C15H13BrN4O3S MolecularWeight: 409.25772

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C(=N)C=C3)CC4=CC(=O)NS4.Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C(=N)C=C3)CC4=CC(=O)NS4.Br

InChI

InChI=1S/C15H12N4O3S.BrH/c16-14-4-2-11(9-1-3-12-13(5-9)22-8-21-12)17-19(14)7-10-6-15(20)18-23-10;/h1-6,16H,7-8H2,(H,18,20);1H