(4E)-2-methyl-4-[(oxidanylamino)methylidene]-5-(sulfanylmethyl)pyridin-3-one hydrochloride

Systemtic Name: (4E)-2-methyl-4-[(oxidanylamino)methylidene]-5-(sulfanylmethyl)pyridin-3-one hydrochloride Openeye Name: (4E)-4-[(hydroxyamino)methylene]-2-methyl-5-(sulfanylmethyl)pyridin-3-one hydrochloride CAS Name: (4E)-4-[(hydroxyamino)methylidene]-5-(mercaptomethyl)-2-methyl-3-pyridinone hydrochloride IUPAC Name: (4E)-4-[(hydroxyamino)methylidene]-2-methyl-5-(sulfanylmethyl)pyridin-3-one hydrochloride Traditional Name: (4E)-4-[(hydroxyamino)methylene]-5-(mercaptomethyl)-2-methyl-pyridin-3-one hydrochloride Formula: C8H11ClN2O2S MolecularWeight: 234.70314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNO)C1=O)CS.Cl

Isomeric SMILES

CC1=NC=C(/C(=C\NO)/C1=O)CS.Cl

InChI

InChI=1S/C8H10N2O2S.ClH/c1-5-8(11)7(3-10-12)6(4-13)2-9-5;/h2-3,10,12-13H,4H2,1H3;1H/b7-3+;