(5-methoxy-2-oxidanyl-phenyl)-(5-phenyl-7-sulfanylidene-5,6-dihydroimidazo[1,5-b]pyridazin-8-ium-3-yl)methanone

Systemtic Name: (5-methoxy-2-oxidanyl-phenyl)-(5-phenyl-7-sulfanylidene-5,6-dihydroimidazo[1,5-b]pyridazin-8-ium-3-yl)methanone Openeye Name: (2-hydroxy-5-methoxy-phenyl)-(5-phenyl-7-thioxo-5,6-dihydroimidazo[1,5-b]pyridazin-8-ium-3-yl)methanone CAS Name: (2-hydroxy-5-methoxyphenyl)-(5-phenyl-7-sulfanylidene-5,6-dihydroimidazo[1,5-b]pyridazin-8-ium-3-yl)methanone IUPAC Name: (2-hydroxy-5-methoxyphenyl)-(5-phenyl-7-sulfanylidene-5,6-dihydroimidazo[1,5-b]pyridazin-8-ium-3-yl)methanone Traditional Name: (2-hydroxy-5-methoxy-phenyl)-(5-phenyl-7-thioxo-5,6-dihydroimidazo[1,5-b]pyridazin-8-ium-3-yl)methanone Formula: C20H16N3O3S+ MolecularWeight: 378.42434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C(=O)C2=CC3=[N+](C(=S)NC3C4=CC=CC=C4)N=C2

Isomeric SMILES

COC1=CC(=C(C=C1)O)C(=O)C2=CC3=[N+](C(=S)NC3C4=CC=CC=C4)N=C2

InChI

InChI=1S/C20H15N3O3S/c1-26-14-7-8-17(24)15(10-14)19(25)13-9-16-18(12-5-3-2-4-6-12)22-20(27)23(16)21-11-13/h2-11,18H,1H3,(H-,22,24,25,27)/p+1