3,3-dimethyl-1-(4-phenylphthalazin-1-yl)sulfanyl-butan-2-one

Systemtic Name: 3,3-dimethyl-1-(4-phenylphthalazin-1-yl)sulfanyl-butan-2-one Openeye Name: 3,3-dimethyl-1-(4-phenylphthalazin-1-yl)sulfanyl-butan-2-one CAS Name: 3,3-dimethyl-1-[(4-phenyl-1-phthalazinyl)thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-(4-phenylphthalazin-1-yl)sulfanylbutan-2-one Traditional Name: 3,3-dimethyl-1-[(4-phenylphthalazin-1-yl)thio]butan-2-one Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2OS/c1-20(2,3)17(23)13-24-19-16-12-8-7-11-15(16)18(21-22-19)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3