2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone Formula: C26H29N3OS MolecularWeight: 431.59296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2C3=CC=CC=C3C(CC2(C)C)(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2C3=CC=CC=C3C(CC2(C)C)(C)C4=CC=CC=C4)C

InChI

InChI=1S/C26H29N3OS/c1-18-15-19(2)28-24(27-18)31-16-23(30)29-22-14-10-9-13-21(22)26(5,17-25(29,3)4)20-11-7-6-8-12-20/h6-15H,16-17H2,1-5H3