6-chloranyl-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazoline-2-thione

Systemtic Name: 6-chloranyl-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazoline-2-thione Openeye Name: 6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazoline-2-thione CAS Name: 6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazoline-2-thione IUPAC Name: 6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazoline-2-thione Traditional Name: 6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1,3-dihydroquinazoline-2-thione Formula: C14H10ClF3N2S MolecularWeight: 330.75581

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=S)N2)C(F)(F)F

Isomeric SMILES

C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=S)N2)C(F)(F)F

InChI

InChI=1S/C14H10ClF3N2S/c15-9-3-4-11-10(7-9)13(14(16,17)18,20-12(21)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H2,19,20,21)