5-[(1-azanylidene-4-phenyl-phthalazin-2-yl)methyl]-1,2-thiazol-3-one hydrobromide

Systemtic Name: 5-[(1-azanylidene-4-phenyl-phthalazin-2-yl)methyl]-1,2-thiazol-3-one hydrobromide Openeye Name: 5-[(1-imino-4-phenyl-phthalazin-2-yl)methyl]isothiazol-3-one hydrobromide CAS Name: 5-[(1-imino-4-phenyl-2-phthalazinyl)methyl]-3-isothiazolone hydrobromide IUPAC Name: 5-[(1-imino-4-phenylphthalazin-2-yl)methyl]-1,2-thiazol-3-one hydrobromide Traditional Name: 5-[(1-imino-4-phenyl-phthalazin-2-yl)methyl]-4-isothiazolin-3-one hydrobromide Formula: C18H15BrN4OS MolecularWeight: 415.3069

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=N)C3=CC=CC=C32)CC4=CC(=O)NS4.Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=N)C3=CC=CC=C32)CC4=CC(=O)NS4.Br

InChI

InChI=1S/C18H14N4OS.BrH/c19-18-15-9-5-4-8-14(15)17(12-6-2-1-3-7-12)20-22(18)11-13-10-16(23)21-24-13;/h1-10,19H,11H2,(H,21,23);1H