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

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

C1=CC2=C(C=C1Cl)C(NC(=S)N2)(C#CCCO)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(NC(=S)N2)(C#CCCO)C(F)(F)F

InChI

InChI=1S/C13H10ClF3N2OS/c14-8-3-4-10-9(7-8)12(13(15,16)17,5-1-2-6-20)19-11(21)18-10/h3-4,7,20H,2,6H2,(H2,18,19,21)