5-(methylsulfanylmethyl)-3-phenoxy-1H-pyridazin-4-one

Systemtic Name: 5-(methylsulfanylmethyl)-3-phenoxy-1H-pyridazin-4-one Openeye Name: 5-(methylsulfanylmethyl)-3-phenoxy-1H-pyridazin-4-one CAS Name: 5-[(methylthio)methyl]-3-phenoxy-1H-pyridazin-4-one IUPAC Name: 5-(methylsulfanylmethyl)-3-phenoxy-1H-pyridazin-4-one Traditional Name: 5-[(methylthio)methyl]-3-phenoxy-1H-pyridazin-4-one Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CNN=C(C1=O)OC2=CC=CC=C2

Isomeric SMILES

CSCC1=CNN=C(C1=O)OC2=CC=CC=C2

InChI

InChI=1S/C12H12N2O2S/c1-17-8-9-7-13-14-12(11(9)15)16-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,15)