1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(1-methylimidazol-2-yl)carbonylquinolin-2-yl]sulfanyl-ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]sulfanyl]ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[[4-[(1-methyl-2-imidazolyl)-oxomethyl]-2-quinolinyl]thio]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(1-methylimidazole-2-carbonyl)quinolin-2-yl]sulfanylethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[[4-(1-methylimidazole-2-carbonyl)-2-quinolyl]thio]ethanone Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)C5=NC=CN5C

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC4=CC=CC=C4C(=C3)C(=O)C5=NC=CN5C

InChI

InChI=1S/C25H24N4O2S/c1-15-12-19(16(2)29(15)17-8-9-17)22(30)14-32-23-13-20(18-6-4-5-7-21(18)27-23)24(31)25-26-10-11-28(25)3/h4-7,10-13,17H,8-9,14H2,1-3H3