3-(2-pyrimidin-2-ylsulfinylethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-2-imine

Systemtic Name: 3-(2-pyrimidin-2-ylsulfinylethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-2-imine Openeye Name: 3-(2-pyrimidin-2-ylsulfinylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine CAS Name: 3-[2-(2-pyrimidinylsulfinyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine IUPAC Name: 3-(2-pyrimidin-2-ylsulfinylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine Traditional Name: [3-[2-(2-pyrimidylsulfinyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amine Formula: C14H11F3N4O2S2 MolecularWeight: 388.38795

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)S(=O)CCN2C3=C(C=C(C=C3)OC(F)(F)F)SC2=N

Isomeric SMILES

C1=CN=C(N=C1)S(=O)CCN2C3=C(C=C(C=C3)OC(F)(F)F)SC2=N

InChI

InChI=1S/C14H11F3N4O2S2/c15-14(16,17)23-9-2-3-10-11(8-9)24-12(18)21(10)6-7-25(22)13-19-4-1-5-20-13/h1-5,8,18H,6-7H2