5-morpholin-4-yl-2-phenyl-4-(phenylmethylsulfanyl)pyridazin-3-one

Systemtic Name: 5-morpholin-4-yl-2-phenyl-4-(phenylmethylsulfanyl)pyridazin-3-one Openeye Name: 4-benzylsulfanyl-5-morpholino-2-phenyl-pyridazin-3-one CAS Name: 5-(4-morpholinyl)-2-phenyl-4-(phenylmethylthio)-3-pyridazinone IUPAC Name: 4-benzylsulfanyl-5-morpholin-4-yl-2-phenylpyridazin-3-one Traditional Name: 4-(benzylthio)-5-morpholino-2-phenyl-pyridazin-3-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c25-21-20(27-16-17-7-3-1-4-8-17)19(23-11-13-26-14-12-23)15-22-24(21)18-9-5-2-6-10-18/h1-10,15H,11-14,16H2