(2R)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-butanimidothioate

Systemtic Name: (2R)-3-oxidanylidene-N-prop-2-enyl-2-pyridin-1-ium-1-yl-butanimidothioate Openeye Name: (2R)-N-allyl-3-oxo-2-pyridin-1-ium-1-yl-butanimidothioate CAS Name: (2R)-3-oxo-N-prop-2-enyl-2-(1-pyridin-1-iumyl)butanimidothioate IUPAC Name: (2R)-3-oxo-N-prop-2-enyl-2-pyridin-1-ium-1-ylbutanimidothioate Traditional Name: (2R)-N-allyl-3-keto-2-pyridin-1-ium-1-yl-thiobutyrimidate Formula: C12H14N2OS MolecularWeight: 234.31736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=NCC=C)[S-])[N+]1=CC=CC=C1

Isomeric SMILES

CC(=O)[C@H](C(=NCC=C)[S-])[N+]1=CC=CC=C1

InChI

InChI=1S/C12H14N2OS/c1-3-7-13-12(16)11(10(2)15)14-8-5-4-6-9-14/h3-6,8-9,11H,1,7H2,2H3/t11-/m1/s1