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

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[(4-phenyl-1-phthalazinyl)thio]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4-phenylphthalazin-1-yl)sulfanylethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(4-phenylphthalazin-1-yl)thio]ethanone Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3OS/c1-16-14-22(17(2)28(16)19-12-13-19)23(29)15-30-25-21-11-7-6-10-20(21)24(26-27-25)18-8-4-3-5-9-18/h3-11,14,19H,12-13,15H2,1-2H3