1-[4-[(6-chloranyl-4-phenyl-quinazolin-2-yl)sulfanylmethyl]-2,2-dimethyl-quinolin-1-yl]ethanone

Systemtic Name: 1-[4-[(6-chloranyl-4-phenyl-quinazolin-2-yl)sulfanylmethyl]-2,2-dimethyl-quinolin-1-yl]ethanone Openeye Name: 1-[4-[(6-chloro-4-phenyl-quinazolin-2-yl)sulfanylmethyl]-2,2-dimethyl-1-quinolyl]ethanone CAS Name: 1-[4-[[(6-chloro-4-phenyl-2-quinazolinyl)thio]methyl]-2,2-dimethyl-1-quinolinyl]ethanone IUPAC Name: 1-[4-[(6-chloro-4-phenylquinazolin-2-yl)sulfanylmethyl]-2,2-dimethylquinolin-1-yl]ethanone Traditional Name: 1-[4-[[(6-chloro-4-phenyl-quinazolin-2-yl)thio]methyl]-2,2-dimethyl-1-quinolyl]ethanone Formula: C28H24ClN3OS MolecularWeight: 486.02766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=CC=CC=C2C(=CC1(C)C)CSC3=NC4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5

Isomeric SMILES

CC(=O)N1C2=CC=CC=C2C(=CC1(C)C)CSC3=NC4=C(C=C(C=C4)Cl)C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C28H24ClN3OS/c1-18(33)32-25-12-8-7-11-22(25)20(16-28(32,2)3)17-34-27-30-24-14-13-21(29)15-23(24)26(31-27)19-9-5-4-6-10-19/h4-16H,17H2,1-3H3