3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[2-(trifluoromethyl)-4-quinazolinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[2-(trifluoromethyl)quinazolin-4-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C17H10F3N5OS MolecularWeight: 389.35441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H10F3N5OS/c18-17(19,20)16-21-12-7-3-1-5-10(12)14(22-16)27-9-25-15(26)11-6-2-4-8-13(11)23-24-25/h1-8H,9H2