(3-chloranyl-2-methylsulfinyl-pyridin-1-ium-1-yl)-pyridin-4-yl-methanolate

Systemtic Name: (3-chloranyl-2-methylsulfinyl-pyridin-1-ium-1-yl)-pyridin-4-yl-methanolate Openeye Name: (3-chloro-2-methylsulfinyl-pyridin-1-ium-1-yl)-(4-pyridyl)methanolate CAS Name: (3-chloro-2-methylsulfinyl-1-pyridin-1-iumyl)-pyridin-4-ylmethanolate IUPAC Name: (3-chloro-2-methylsulfinylpyridin-1-ium-1-yl)-pyridin-4-ylmethanolate Traditional Name: (3-chloro-2-methylsulfinyl-pyridin-1-ium-1-yl)-(4-pyridyl)methanolate Formula: C12H11ClN2O2S MolecularWeight: 282.74594

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=CC=[N+]1C(C2=CC=NC=C2)[O-])Cl

Isomeric SMILES

CS(=O)C1=C(C=CC=[N+]1C(C2=CC=NC=C2)[O-])Cl

InChI

InChI=1S/C12H11ClN2O2S/c1-18(17)12-10(13)3-2-8-15(12)11(16)9-4-6-14-7-5-9/h2-8,11H,1H3