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

Systemtic Name: 3-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C13H8F3N5OS MolecularWeight: 339.29573

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C13H8F3N5OS/c14-13(15,16)10-5-6-17-12(18-10)23-7-21-11(22)8-3-1-2-4-9(8)19-20-21/h1-6H,7H2