N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide

Systemtic Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide Openeye Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide CAS Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide IUPAC Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide Traditional Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-2-(4-keto-3-methyl-phthalazin-1-yl)acetamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C)C

InChI

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