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

Systemtic Name: [4-(4-chlorophenyl)-2-(2-ethoxy-2-oxidanylidene-ethyl)-1,2-thiazol-5-ylidene]-diethyl-azanium Openeye Name: [4-(4-chlorophenyl)-2-(2-ethoxy-2-oxo-ethyl)isothiazol-5-ylidene]-diethyl-ammonium CAS Name: [4-(4-chlorophenyl)-2-(2-ethoxy-2-oxoethyl)-5-isothiazolylidene]-diethylammonium IUPAC Name: [4-(4-chlorophenyl)-2-(2-ethoxy-2-oxoethyl)-1,2-thiazol-5-ylidene]-diethylazanium Traditional Name: [4-(4-chlorophenyl)-2-(2-ethoxy-2-keto-ethyl)-3-isothiazolin-5-ylidene]-diethyl-ammonium Formula: C17H22ClN2O2S+ MolecularWeight: 353.88678

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN2O2S/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/q+1