2-[[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[1-butyl-5-(trifluoromethyl)-2-benzimidazolyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]methyl]-1H-quinazolin-4-one Formula: C21H19F3N4OS MolecularWeight: 432.46197

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H19F3N4OS/c1-2-3-10-28-17-9-8-13(21(22,23)24)11-16(17)26-20(28)30-12-18-25-15-7-5-4-6-14(15)19(29)27-18/h4-9,11H,2-3,10,12H2,1H3,(H,25,27,29)