1-[4-[(2S)-butan-2-yl]phenyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-[(2S)-butan-2-yl]phenyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone Openeye Name: 1-[4-[(1S)-1-methylpropyl]phenyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone CAS Name: 1-[4-[(2S)-butan-2-yl]phenyl]-2-[(4-phenyl-1-phthalazinyl)thio]ethanone IUPAC Name: 1-[4-[(2S)-butan-2-yl]phenyl]-2-(4-phenylphthalazin-1-yl)sulfanylethanone Traditional Name: 1-[4-[(1S)-1-methylpropyl]phenyl]-2-[(4-phenylphthalazin-1-yl)thio]ethanone Formula: C26H24N2OS MolecularWeight: 412.54656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2OS/c1-3-18(2)19-13-15-20(16-14-19)24(29)17-30-26-23-12-8-7-11-22(23)25(27-28-26)21-9-5-4-6-10-21/h4-16,18H,3,17H2,1-2H3/t18-/m0/s1