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

Systemtic Name: 5-[(6-azanylidene-3-thiophen-3-yl-pyridazin-1-yl)methyl]-1,2-oxazol-3-one hydrobromide Openeye Name: 5-[[6-imino-3-(3-thienyl)pyridazin-1-yl]methyl]isoxazol-3-one hydrobromide CAS Name: 5-[[6-imino-3-(3-thiophenyl)-1-pyridazinyl]methyl]-3-isoxazolone hydrobromide IUPAC Name: 5-[(6-imino-3-thiophen-3-ylpyridazin-1-yl)methyl]-1,2-oxazol-3-one hydrobromide Traditional Name: 5-[[6-imino-3-(3-thienyl)pyridazin-1-yl]methyl]-4-isoxazolin-3-one hydrobromide Formula: C12H11BrN4O2S MolecularWeight: 355.21034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=N)N(N=C1C2=CSC=C2)CC3=CC(=O)NO3.Br

Isomeric SMILES

C1=CC(=N)N(N=C1C2=CSC=C2)CC3=CC(=O)NO3.Br

InChI

InChI=1S/C12H10N4O2S.BrH/c13-11-2-1-10(8-3-4-19-7-8)14-16(11)6-9-5-12(17)15-18-9;/h1-5,7,13H,6H2,(H,15,17);1H