2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,2,4,6,7-pentamethylquinolin-1-yl)ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,2,4,6,7-pentamethylquinolin-1-yl)ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,2,4,6,7-pentamethyl-1-quinolyl)ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-(2,2,4,6,7-pentamethyl-1-quinolinyl)ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(2,2,4,6,7-pentamethylquinolin-1-yl)ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-(2,2,4,6,7-pentamethyl-1-quinolyl)ethanone Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(N2C(=O)CSC3=NC4=CC=CC=C4N3)(C)C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(N2C(=O)CSC3=NC4=CC=CC=C4N3)(C)C)C)C

InChI

InChI=1S/C23H25N3OS/c1-14-10-17-16(3)12-23(4,5)26(20(17)11-15(14)2)21(27)13-28-22-24-18-8-6-7-9-19(18)25-22/h6-12H,13H2,1-5H3,(H,24,25)