1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-phenyl-1-phthalazinyl)thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4-phenylphthalazin-1-yl)thio]ethanone Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O2S/c1-14-21(16(3)28)15(2)25-22(14)20(29)13-30-24-19-12-8-7-11-18(19)23(26-27-24)17-9-5-4-6-10-17/h4-12,25H,13H2,1-3H3