4-(2-cyclopropylethynyl)-5,6-bis(fluoranyl)-3-methyl-4-(trifluoromethyl)-1H-quinazoline-2-thione

Systemtic Name: 4-(2-cyclopropylethynyl)-5,6-bis(fluoranyl)-3-methyl-4-(trifluoromethyl)-1H-quinazoline-2-thione Openeye Name: 4-(2-cyclopropylethynyl)-5,6-difluoro-3-methyl-4-(trifluoromethyl)-1H-quinazoline-2-thione CAS Name: 4-(2-cyclopropylethynyl)-5,6-difluoro-3-methyl-4-(trifluoromethyl)-1H-quinazoline-2-thione IUPAC Name: 4-(2-cyclopropylethynyl)-5,6-difluoro-3-methyl-4-(trifluoromethyl)-1H-quinazoline-2-thione Traditional Name: 4-(2-cyclopropylethynyl)-5,6-difluoro-3-methyl-4-(trifluoromethyl)-1H-quinazoline-2-thione Formula: C15H11F5N2S MolecularWeight: 346.318256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)NC2=C(C1(C#CC3CC3)C(F)(F)F)C(=C(C=C2)F)F

Isomeric SMILES

CN1C(=S)NC2=C(C1(C#CC3CC3)C(F)(F)F)C(=C(C=C2)F)F

InChI

InChI=1S/C15H11F5N2S/c1-22-13(23)21-10-5-4-9(16)12(17)11(10)14(22,15(18,19)20)7-6-8-2-3-8/h4-5,8H,2-3H2,1H3,(H,21,23)