2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 2-[2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl]phthalazin-1-one CAS Name: 2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl]phthalazin-1-one Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C21H19N3O2S/c1-14-10-19(15(2)23(14)12-17-7-5-9-27-17)20(25)13-24-21(26)18-8-4-3-6-16(18)11-22-24/h3-11H,12-13H2,1-2H3