[4-(4-chlorophenyl)-2-(2-ethoxy-2-oxidanylidene-ethyl)-1,2-thiazol-5-ylidene]-diethyl-azanium bromide

Systemtic Name: [4-(4-chlorophenyl)-2-(2-ethoxy-2-oxidanylidene-ethyl)-1,2-thiazol-5-ylidene]-diethyl-azanium bromide Openeye Name: [4-(4-chlorophenyl)-2-(2-ethoxy-2-oxo-ethyl)isothiazol-5-ylidene]-diethyl-ammonium bromide CAS Name: [4-(4-chlorophenyl)-2-(2-ethoxy-2-oxoethyl)-5-isothiazolylidene]-diethylammonium bromide IUPAC Name: [4-(4-chlorophenyl)-2-(2-ethoxy-2-oxoethyl)-1,2-thiazol-5-ylidene]-diethylazanium bromide Traditional Name: [4-(4-chlorophenyl)-2-(2-ethoxy-2-keto-ethyl)-3-isothiazolin-5-ylidene]-diethyl-ammonium bromide Formula: C17H22BrClN2O2S MolecularWeight: 433.79078

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](=C1C(=CN(S1)CC(=O)OCC)C2=CC=C(C=C2)Cl)CC.[Br-]

Isomeric SMILES

CC[N+](=C1C(=CN(S1)CC(=O)OCC)C2=CC=C(C=C2)Cl)CC.[Br-]

InChI

InChI=1S/C17H22ClN2O2S.BrH/c1-4-19(5-2)17-15(13-7-9-14(18)10-8-13)11-20(23-17)12-16(21)22-6-3;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1