2-methyl-6-[[[4-(2-methylphenyl)sulfinyl-3-(trifluoromethyl)phenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-methyl-6-[[[4-(2-methylphenyl)sulfinyl-3-(trifluoromethyl)phenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-methyl-6-[[4-(o-tolylsulfinyl)-N-prop-2-ynyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazolin-4-one CAS Name: 2-methyl-6-[[4-(2-methylphenyl)sulfinyl-N-prop-2-ynyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-methyl-6-[[4-(2-methylphenyl)sulfinyl-N-prop-2-ynyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazolin-4-one Traditional Name: 2-methyl-6-[[4-(o-tolylsulfinyl)-N-propargyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazolin-4-one Formula: C27H22F3N3O2S MolecularWeight: 509.54269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)C2=C(C=C(C=C2)N(CC#C)CC3=CC4=C(C=C3)NC(=NC4=O)C)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1S(=O)C2=C(C=C(C=C2)N(CC#C)CC3=CC4=C(C=C3)NC(=NC4=O)C)C(F)(F)F

InChI

InChI=1S/C27H22F3N3O2S/c1-4-13-33(16-19-9-11-23-21(14-19)26(34)32-18(3)31-23)20-10-12-25(22(15-20)27(28,29)30)36(35)24-8-6-5-7-17(24)2/h1,5-12,14-15H,13,16H2,2-3H3,(H,31,32,34)