(2S)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propan-1-one

Systemtic Name: (2S)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propan-1-one Openeye Name: (2S)-1-(1-acetylindolin-5-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propan-1-one CAS Name: (2S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-phenyl-1-phthalazinyl)thio]-1-propanone IUPAC Name: (2S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylphthalazin-1-yl)sulfanylpropan-1-one Traditional Name: (2S)-1-(1-acetylindolin-5-yl)-2-[(4-phenylphthalazin-1-yl)thio]propan-1-one Formula: C27H23N3O2S MolecularWeight: 453.55542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)SC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)SC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O2S/c1-17(26(32)21-12-13-24-20(16-21)14-15-30(24)18(2)31)33-27-23-11-7-6-10-22(23)25(28-29-27)19-8-4-3-5-9-19/h3-13,16-17H,14-15H2,1-2H3/t17-/m0/s1