6-(4-methylphenyl)sulfanyl-2-(4-morpholin-4-ylcarbonylphenyl)pyridazin-3-one

Systemtic Name: 6-(4-methylphenyl)sulfanyl-2-(4-morpholin-4-ylcarbonylphenyl)pyridazin-3-one Openeye Name: 2-[4-(morpholine-4-carbonyl)phenyl]-6-(p-tolylsulfanyl)pyridazin-3-one CAS Name: 6-[(4-methylphenyl)thio]-2-[4-[4-morpholinyl(oxo)methyl]phenyl]-3-pyridazinone IUPAC Name: 6-(4-methylphenyl)sulfanyl-2-[4-(morpholine-4-carbonyl)phenyl]pyridazin-3-one Traditional Name: 2-[4-(morpholine-4-carbonyl)phenyl]-6-(p-tolylthio)pyridazin-3-one Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C22H21N3O3S/c1-16-2-8-19(9-3-16)29-20-10-11-21(26)25(23-20)18-6-4-17(5-7-18)22(27)24-12-14-28-15-13-24/h2-11H,12-15H2,1H3