1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-phthalazin-1-ylsulfanyl-ethanone

Systemtic Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-phthalazin-1-ylsulfanyl-ethanone Openeye Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-phthalazin-1-ylsulfanyl-ethanone CAS Name: 1-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-(1-phthalazinylthio)ethanone IUPAC Name: 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-phthalazin-1-ylsulfanylethanone Traditional Name: 1-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-(phthalazin-1-ylthio)ethanone Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CSC2=NN=CC3=CC=CC=C32)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CSC2=NN=CC3=CC=CC=C32)C

InChI

InChI=1S/C18H19N3OS/c1-4-21-12(2)9-16(13(21)3)17(22)11-23-18-15-8-6-5-7-14(15)10-19-20-18/h5-10H,4,11H2,1-3H3