2-[3-(dimethylamino)propyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phthalazin-1-one

Systemtic Name: 2-[3-(dimethylamino)propyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phthalazin-1-one Openeye Name: 2-[3-(dimethylamino)propyl]-6-[(E)-2-(4-methylsulfanylphenyl)vinyl]phthalazin-1-one CAS Name: 2-[3-(dimethylamino)propyl]-6-[(E)-2-[4-(methylthio)phenyl]ethenyl]-1-phthalazinone IUPAC Name: 2-[3-(dimethylamino)propyl]-6-[(E)-2-(4-methylsulfanylphenyl)ethenyl]phthalazin-1-one Traditional Name: 2-[3-(dimethylamino)propyl]-6-[(E)-2-[4-(methylthio)phenyl]vinyl]phthalazin-1-one Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C(=O)C2=C(C=C(C=C2)C=CC3=CC=C(C=C3)SC)C=N1

Isomeric SMILES

CN(C)CCCN1C(=O)C2=C(C=C(C=C2)/C=C/C3=CC=C(C=C3)SC)C=N1

InChI

InChI=1S/C22H25N3OS/c1-24(2)13-4-14-25-22(26)21-12-9-18(15-19(21)16-23-25)6-5-17-7-10-20(27-3)11-8-17/h5-12,15-16H,4,13-14H2,1-3H3/b6-5+