1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone

Systemtic Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone Openeye Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone CAS Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(4-phenyl-1-phthalazinyl)thio]ethanone IUPAC Name: 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-(4-phenylphthalazin-1-yl)sulfanylethanone Traditional Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(4-phenylphthalazin-1-yl)thio]ethanone Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2S/c1-17-15-22(18(2)28(17)13-14-30-3)23(29)16-31-25-21-12-8-7-11-20(21)24(26-27-25)19-9-5-4-6-10-19/h4-12,15H,13-14,16H2,1-3H3