8-methyl-2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 8-methyl-2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 8-methyl-2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 8-methyl-2-[[[1-propyl-6-(trifluoromethyl)-2-benzimidazolyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 8-methyl-2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 8-methyl-2-[[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]thio]methyl]-1H-quinazolin-4-one Formula: C21H19F3N4OS MolecularWeight: 432.46197

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC3=NC(=O)C4=C(N3)C(=CC=C4)C

InChI

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