5-(2-methylphenyl)-2-phenylsulfanyl-pyrimido[1,6-b]pyridazin-6-one

Systemtic Name: 5-(2-methylphenyl)-2-phenylsulfanyl-pyrimido[1,6-b]pyridazin-6-one Openeye Name: 5-(o-tolyl)-2-phenylsulfanyl-pyrimido[1,6-b]pyridazin-6-one CAS Name: 5-(2-methylphenyl)-2-(phenylthio)-6-pyrimido[1,6-b]pyridazinone IUPAC Name: 5-(2-methylphenyl)-2-phenylsulfanylpyrimido[1,6-b]pyridazin-6-one Traditional Name: 5-(o-tolyl)-2-(phenylthio)pyrimido[1,6-b]pyridazin-6-one Formula: C20H15N3OS MolecularWeight: 345.4176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3C=CC(=NN3C=NC2=O)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=C3C=CC(=NN3C=NC2=O)SC4=CC=CC=C4

InChI

InChI=1S/C20H15N3OS/c1-14-7-5-6-10-16(14)19-17-11-12-18(22-23(17)13-21-20(19)24)25-15-8-3-2-4-9-15/h2-13H,1H3