4-(4-phenylphthalazin-1-yl)sulfanylbutan-2-one

Systemtic Name: 4-(4-phenylphthalazin-1-yl)sulfanylbutan-2-one Openeye Name: 4-(4-phenylphthalazin-1-yl)sulfanylbutan-2-one CAS Name: 4-[(4-phenyl-1-phthalazinyl)thio]-2-butanone IUPAC Name: 4-(4-phenylphthalazin-1-yl)sulfanylbutan-2-one Traditional Name: 4-[(4-phenylphthalazin-1-yl)thio]butan-2-one Formula: C18H16N2OS MolecularWeight: 308.39744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CCSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C18H16N2OS/c1-13(21)11-12-22-18-16-10-6-5-9-15(16)17(19-20-18)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3