3-(2-ethylsulfonylethyl)-6-[1,1,2,2,2-pentakis(fluoranyl)ethoxy]-1,3-benzothiazol-2-imine hydrochloride

Systemtic Name: 3-(2-ethylsulfonylethyl)-6-[1,1,2,2,2-pentakis(fluoranyl)ethoxy]-1,3-benzothiazol-2-imine hydrochloride Openeye Name: 3-(2-ethylsulfonylethyl)-6-(1,1,2,2,2-pentafluoroethoxy)-1,3-benzothiazol-2-imine hydrochloride CAS Name: 3-(2-ethylsulfonylethyl)-6-(1,1,2,2,2-pentafluoroethoxy)-1,3-benzothiazol-2-imine hydrochloride IUPAC Name: 3-(2-ethylsulfonylethyl)-6-(1,1,2,2,2-pentafluoroethoxy)-1,3-benzothiazol-2-imine hydrochloride Traditional Name: [3-(2-esylethyl)-6-(1,1,2,2,2-pentafluoroethoxy)-1,3-benzothiazol-2-ylidene]amine hydrochloride Formula: C13H14ClF5N2O3S2 MolecularWeight: 440.836876

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCN1C2=C(C=C(C=C2)OC(C(F)(F)F)(F)F)SC1=N.Cl

Isomeric SMILES

CCS(=O)(=O)CCN1C2=C(C=C(C=C2)OC(C(F)(F)F)(F)F)SC1=N.Cl

InChI

InChI=1S/C13H13F5N2O3S2.ClH/c1-2-25(21,22)6-5-20-9-4-3-8(7-10(9)24-11(20)19)23-13(17,18)12(14,15)16;/h3-4,7,19H,2,5-6H2,1H3;1H