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

Systemtic Name: 6-chloranyl-4-(3-oxidanylbut-1-ynyl)-4-(trifluoromethyl)-1,3-dihydroquinazoline-2-thione Openeye Name: 6-chloro-4-(3-hydroxybut-1-ynyl)-4-(trifluoromethyl)-1,3-dihydroquinazoline-2-thione CAS Name: 6-chloro-4-(3-hydroxybut-1-ynyl)-4-(trifluoromethyl)-1,3-dihydroquinazoline-2-thione IUPAC Name: 6-chloro-4-(3-hydroxybut-1-ynyl)-4-(trifluoromethyl)-1,3-dihydroquinazoline-2-thione Traditional Name: 6-chloro-4-(3-hydroxybut-1-ynyl)-4-(trifluoromethyl)-1,3-dihydroquinazoline-2-thione Formula: C13H10ClF3N2OS MolecularWeight: 334.74451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1(C2=C(C=CC(=C2)Cl)NC(=S)N1)C(F)(F)F)O

Isomeric SMILES

CC(C#CC1(C2=C(C=CC(=C2)Cl)NC(=S)N1)C(F)(F)F)O

InChI

InChI=1S/C13H10ClF3N2OS/c1-7(20)4-5-12(13(15,16)17)9-6-8(14)2-3-10(9)18-11(21)19-12/h2-3,6-7,20H,1H3,(H2,18,19,21)