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

Systemtic Name: 4-morpholin-4-yl-2-(phenylmethyl)-5-(phenylmethylsulfanyl)pyridazin-3-one Openeye Name: 2-benzyl-5-benzylsulfanyl-4-morpholino-pyridazin-3-one CAS Name: 4-(4-morpholinyl)-2-(phenylmethyl)-5-(phenylmethylthio)-3-pyridazinone IUPAC Name: 2-benzyl-5-benzylsulfanyl-4-morpholin-4-ylpyridazin-3-one Traditional Name: 2-benzyl-5-(benzylthio)-4-morpholino-pyridazin-3-one Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=NN(C2=O)CC3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=C(C=NN(C2=O)CC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S/c26-22-21(24-11-13-27-14-12-24)20(28-17-19-9-5-2-6-10-19)15-23-25(22)16-18-7-3-1-4-8-18/h1-10,15H,11-14,16-17H2