2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1-yl)ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1-yl)ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,2,4-trimethyl-1-quinolyl)ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-(2,2,4-trimethyl-1-quinolinyl)ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,2,4-trimethylquinolin-1-yl)ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-(2,2,4-trimethyl-1-quinolyl)ethanone Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(N(C2=CC=CC=C12)C(=O)CSC3=NC4=CC=CC=C4N3)(C)C

Isomeric SMILES

CC1=CC(N(C2=CC=CC=C12)C(=O)CSC3=NC4=CC=CC=C4N3)(C)C

InChI

InChI=1S/C21H21N3OS/c1-14-12-21(2,3)24(18-11-7-4-8-15(14)18)19(25)13-26-20-22-16-9-5-6-10-17(16)23-20/h4-12H,13H2,1-3H3,(H,22,23)