1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-quinolin-2-ylsulfanyl-propan-1-one

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-quinolin-2-ylsulfanyl-propan-1-one Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-quinolylsulfanyl)propan-1-one CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-quinolinylthio)-1-propanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-quinolin-2-ylsulfanylpropan-1-one Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(2-quinolylthio)propan-1-one Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)SC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H20N2O2S/c1-11-18(13(3)23)12(2)21-19(11)20(24)14(4)25-17-10-9-15-7-5-6-8-16(15)22-17/h5-10,14,21H,1-4H3