N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)ethanamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)ethanamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(4-methyl-1-oxo-phthalazin-2-yl)acetamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-2-(4-methyl-1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-2-(1-keto-4-methyl-phthalazin-2-yl)acetamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C

InChI

InChI=1S/C25H23N3O2S/c1-16-8-9-17(2)23(14-16)31-20-12-10-19(11-13-20)26-24(29)15-28-25(30)22-7-5-4-6-21(22)18(3)27-28/h4-14H,15H2,1-3H3,(H,26,29)