2-quinolin-2-ylsulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-quinolin-2-ylsulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-(2-quinolylsulfanyl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-(2-quinolinylthio)-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-quinolin-2-ylsulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-(2-quinolylthio)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H18N2OS/c1-12-10-15(13(2)20(12)3)17(21)11-22-18-9-8-14-6-4-5-7-16(14)19-18/h4-10H,11H2,1-3H3