1-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-(1-isoxazol-3-yl-2,5-dimethyl-pyrrol-3-yl)-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[1-(3-isoxazolyl)-2,5-dimethyl-3-pyrrolyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(1,2-oxazol-3-yl)pyrrol-3-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-(1-isoxazol-3-yl-2,5-dimethyl-pyrrol-3-yl)-2-(2-quinolylthio)ethanone Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NOC=C2)C)C(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=C(N1C2=NOC=C2)C)C(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H17N3O2S/c1-13-11-16(14(2)23(13)19-9-10-25-22-19)18(24)12-26-20-8-7-15-5-3-4-6-17(15)21-20/h3-11H,12H2,1-2H3