2-[(2,5-dimethylphenyl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium-3-ol

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium-3-ol Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-1-oxido-pyridin-1-ium-3-ol CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-1-oxido-3-pyridin-1-iumol IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-1-oxidopyridin-1-ium-3-ol Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-1-oxido-pyridin-1-ium-3-ol Formula: C14H15NO2S MolecularWeight: 261.3394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=C(C=CC=[N+]2[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=C(C=CC=[N+]2[O-])O

InChI

InChI=1S/C14H15NO2S/c1-10-5-6-11(2)12(8-10)9-18-14-13(16)4-3-7-15(14)17/h3-8,16H,9H2,1-2H3