2-[(2-ethyl-5-phenyl-1,2-thiazol-2-ium-3-yl)sulfanyl]cyclohexane-1,3-dione

Systemtic Name: 2-[(2-ethyl-5-phenyl-1,2-thiazol-2-ium-3-yl)sulfanyl]cyclohexane-1,3-dione Openeye Name: 2-(2-ethyl-5-phenyl-isothiazol-2-ium-3-yl)sulfanylcyclohexane-1,3-dione CAS Name: 2-[(2-ethyl-5-phenyl-3-isothiazol-2-iumyl)thio]cyclohexane-1,3-dione IUPAC Name: 2-[(2-ethyl-5-phenyl-1,2-thiazol-2-ium-3-yl)sulfanyl]cyclohexane-1,3-dione Traditional Name: 2-[(2-ethyl-5-phenyl-isothiazol-2-ium-3-yl)thio]cyclohexane-1,3-quinone Formula: C17H18NO2S2+ MolecularWeight: 332.46032

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=C(S1)C2=CC=CC=C2)SC3C(=O)CCCC3=O

Isomeric SMILES

CC[N+]1=C(C=C(S1)C2=CC=CC=C2)SC3C(=O)CCCC3=O

InChI

InChI=1S/C17H18NO2S2/c1-2-18-16(21-17-13(19)9-6-10-14(17)20)11-15(22-18)12-7-4-3-5-8-12/h3-5,7-8,11,17H,2,6,9-10H2,1H3/q+1