1-(4-pyrrol-1-ium-2-ylpyrimidin-2-yl)sulfanylpropan-2-one

Systemtic Name: 1-(4-pyrrol-1-ium-2-ylpyrimidin-2-yl)sulfanylpropan-2-one Openeye Name: 1-(4-pyrrol-1-ium-2-ylpyrimidin-2-yl)sulfanylpropan-2-one CAS Name: 1-[[4-(2-pyrrol-1-iumyl)-2-pyrimidinyl]thio]-2-propanone IUPAC Name: 1-(4-pyrrol-1-ium-2-ylpyrimidin-2-yl)sulfanylpropan-2-one Traditional Name: 1-[(4-pyrrol-1-ium-2-ylpyrimidin-2-yl)thio]acetone Formula: C11H10N3OS+ MolecularWeight: 232.2816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC=CC(=N1)C2=[N+]=CC=C2

Isomeric SMILES

CC(=O)CSC1=NC=CC(=N1)C2=[N+]=CC=C2

InChI

InChI=1S/C11H10N3OS/c1-8(15)7-16-11-13-6-4-10(14-11)9-3-2-5-12-9/h2-6H,7H2,1H3/q+1