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

Systemtic Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C13H10F3N5OS MolecularWeight: 341.31161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10F3N5OS/c1-21-11(13(14,15)16)19-20-12(21)23-6-9-17-8-5-3-2-4-7(8)10(22)18-9/h2-5H,6H2,1H3,(H,17,18,22)