5-(2,4-dichlorophenyl)-2-(4-methylphenyl)sulfanyl-pyrimido[1,6-b]pyridazin-6-one

Systemtic Name: 5-(2,4-dichlorophenyl)-2-(4-methylphenyl)sulfanyl-pyrimido[1,6-b]pyridazin-6-one Openeye Name: 5-(2,4-dichlorophenyl)-2-(p-tolylsulfanyl)pyrimido[1,6-b]pyridazin-6-one CAS Name: 5-(2,4-dichlorophenyl)-2-[(4-methylphenyl)thio]-6-pyrimido[1,6-b]pyridazinone IUPAC Name: 5-(2,4-dichlorophenyl)-2-(4-methylphenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one Traditional Name: 5-(2,4-dichlorophenyl)-2-(p-tolylthio)pyrimido[1,6-b]pyridazin-6-one Formula: C20H13Cl2N3OS MolecularWeight: 414.30772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NN3C=NC(=O)C(=C3C=C2)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NN3C=NC(=O)C(=C3C=C2)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H13Cl2N3OS/c1-12-2-5-14(6-3-12)27-18-9-8-17-19(20(26)23-11-25(17)24-18)15-7-4-13(21)10-16(15)22/h2-11H,1H3