3-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[5-(trifluoromethyl)-2-pyridyl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[5-(trifluoromethyl)-2-pyridinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[5-(trifluoromethyl)-2-pyridyl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C14H9F3N4OS MolecularWeight: 338.30767

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C14H9F3N4OS/c15-14(16,17)9-5-6-12(18-7-9)23-8-21-13(22)10-3-1-2-4-11(10)19-20-21/h1-7H,8H2