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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3OS/c1-4-14-28-17(2)15-22(18(28)3)23(29)16-30-25-21-13-9-8-12-20(21)24(26-27-25)19-10-6-5-7-11-19/h4-13,15H,1,14,16H2,2-3H3