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

Systemtic Name: 2-[(2-methyl-5-phenyl-1,2-thiazol-2-ium-3-yl)sulfanyl]cyclohexane-1,3-dione Openeye Name: 2-(2-methyl-5-phenyl-isothiazol-2-ium-3-yl)sulfanylcyclohexane-1,3-dione CAS Name: 2-[(2-methyl-5-phenyl-3-isothiazol-2-iumyl)thio]cyclohexane-1,3-dione IUPAC Name: 2-[(2-methyl-5-phenyl-1,2-thiazol-2-ium-3-yl)sulfanyl]cyclohexane-1,3-dione Traditional Name: 2-[(2-methyl-5-phenyl-isothiazol-2-ium-3-yl)thio]cyclohexane-1,3-quinone Formula: C16H16NO2S2+ MolecularWeight: 318.43374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16NO2S2/c1-17-15(20-16-12(18)8-5-9-13(16)19)10-14(21-17)11-6-3-2-4-7-11/h2-4,6-7,10,16H,5,8-9H2,1H3/q+1