6-chloranyl-4-(2-cyclopropylethynyl)-3-methyl-4-(trifluoromethyl)-1H-quinazoline-2-thione

Systemtic Name: 6-chloranyl-4-(2-cyclopropylethynyl)-3-methyl-4-(trifluoromethyl)-1H-quinazoline-2-thione Openeye Name: 6-chloro-4-(2-cyclopropylethynyl)-3-methyl-4-(trifluoromethyl)-1H-quinazoline-2-thione CAS Name: 6-chloro-4-(2-cyclopropylethynyl)-3-methyl-4-(trifluoromethyl)-1H-quinazoline-2-thione IUPAC Name: 6-chloro-4-(2-cyclopropylethynyl)-3-methyl-4-(trifluoromethyl)-1H-quinazoline-2-thione Traditional Name: 6-chloro-4-(2-cyclopropylethynyl)-3-methyl-4-(trifluoromethyl)-1H-quinazoline-2-thione Formula: C15H12ClF3N2S MolecularWeight: 344.78239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClF3N2S/c1-21-13(22)20-12-5-4-10(16)8-11(12)14(21,15(17,18)19)7-6-9-2-3-9/h4-5,8-9H,2-3H2,1H3,(H,20,22)