6,7-dimethoxy-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C15H14F3N5O3S MolecularWeight: 401.36357

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC)C(F)(F)F

InChI

InChI=1S/C15H14F3N5O3S/c1-23-13(15(16,17)18)21-22-14(23)27-6-11-19-8-5-10(26-3)9(25-2)4-7(8)12(24)20-11/h4-5H,6H2,1-3H3,(H,19,20,24)