3-[(2-ethyl-5-phenyl-1,2-thiazol-2-ium-3-yl)sulfanyl]pentane-2,4-dione

Systemtic Name: 3-[(2-ethyl-5-phenyl-1,2-thiazol-2-ium-3-yl)sulfanyl]pentane-2,4-dione Openeye Name: 3-(2-ethyl-5-phenyl-isothiazol-2-ium-3-yl)sulfanylpentane-2,4-dione CAS Name: 3-[(2-ethyl-5-phenyl-3-isothiazol-2-iumyl)thio]pentane-2,4-dione IUPAC Name: 3-[(2-ethyl-5-phenyl-1,2-thiazol-2-ium-3-yl)sulfanyl]pentane-2,4-dione Traditional Name: 3-[(2-ethyl-5-phenyl-isothiazol-2-ium-3-yl)thio]pentane-2,4-dione Formula: C16H18NO2S2+ MolecularWeight: 320.44962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18NO2S2/c1-4-17-15(20-16(11(2)18)12(3)19)10-14(21-17)13-8-6-5-7-9-13/h5-10,16H,4H2,1-3H3/q+1