4-[[(3-methylsulfanylphenyl)amino]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[(3-methylsulfanylphenyl)amino]methyl]-2H-phthalazin-1-one Openeye Name: 4-[(3-methylsulfanylanilino)methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-(methylthio)anilino]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[(3-methylsulfanylanilino)methyl]-2H-phthalazin-1-one Traditional Name: 4-[[3-(methylthio)anilino]methyl]-2H-phthalazin-1-one Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NCC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CSC1=CC=CC(=C1)NCC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H15N3OS/c1-21-12-6-4-5-11(9-12)17-10-15-13-7-2-3-8-14(13)16(20)19-18-15/h2-9,17H,10H2,1H3,(H,19,20)