N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(1-oxophthalazin-2-yl)acetamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-2-(1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(1-oxophthalazin-2-yl)acetamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-2-(1-ketophthalazin-2-yl)acetamide Formula: C24H21N3O2S MolecularWeight: 415.50744

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O2S/c1-16-7-8-17(2)22(13-16)30-20-11-9-19(10-12-20)26-23(28)15-27-24(29)21-6-4-3-5-18(21)14-25-27/h3-14H,15H2,1-2H3,(H,26,28)