2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4O3)(C)C5=CC=CC=C5)C

Isomeric SMILES

CC1(CC(C2=CC=CC=C2N1C(=O)CSC3=NC4=CC=CC=C4O3)(C)C5=CC=CC=C5)C

InChI

InChI=1S/C27H26N2O2S/c1-26(2)18-27(3,19-11-5-4-6-12-19)20-13-7-9-15-22(20)29(26)24(30)17-32-25-28-21-14-8-10-16-23(21)31-25/h4-16H,17-18H2,1-3H3