5-ethoxy-2-(phenylmethyl)-4-(phenylmethylsulfanyl)-4H-pyridazin-2-ium-3-one

Systemtic Name: 5-ethoxy-2-(phenylmethyl)-4-(phenylmethylsulfanyl)-4H-pyridazin-2-ium-3-one Openeye Name: 2-benzyl-4-benzylsulfanyl-5-ethoxy-4H-pyridazin-2-ium-3-one CAS Name: 5-ethoxy-2-(phenylmethyl)-4-(phenylmethylthio)-4H-pyridazin-2-ium-3-one IUPAC Name: 2-benzyl-4-benzylsulfanyl-5-ethoxy-4H-pyridazin-2-ium-3-one Traditional Name: 2-benzyl-4-(benzylthio)-5-ethoxy-4H-pyridazin-2-ium-3-one Formula: C20H21N2O2S+ MolecularWeight: 353.45794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN=[N+](C(=O)C1SCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CN=[N+](C(=O)C1SCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N2O2S/c1-2-24-18-13-21-22(14-16-9-5-3-6-10-16)20(23)19(18)25-15-17-11-7-4-8-12-17/h3-13,19H,2,14-15H2,1H3/q+1