4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2H-phthalazin-1-one Openeye Name: 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2H-phthalazin-1-one CAS Name: 4-[[(1-methyl-2-imidazolyl)thio]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2H-phthalazin-1-one Traditional Name: 4-[[(1-methylimidazol-2-yl)thio]methyl]-2H-phthalazin-1-one Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CN1C=CN=C1SCC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C13H12N4OS/c1-17-7-6-14-13(17)19-8-11-9-4-2-3-5-10(9)12(18)16-15-11/h2-7H,8H2,1H3,(H,16,18)