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(E)-3-azanyl-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]but-2-enenitrile

(E)-3-azanyl-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]but-2-enenitrile

Systemtic Name:(E)-3-azanyl-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]but-2-enenitrile
Openeye Name:(E)-3-amino-2-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]but-2-enenitrile
CAS Name:(E)-3-amino-2-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-2-butenenitrile
IUPAC Name:(E)-3-amino-2-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]but-2-enenitrile
Traditional Name:(E)-3-amino-2-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]but-2-enenitrile
Formula: C11H11N3O2S
MolecularWeight: 249.28894
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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=CC=CC=[N+]1[O-])N


Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=CC=CC=[N+]1[O-])/N


InChI

InChI=1S/C11H11N3O2S/c1-8(13)9(6-12)10(15)7-17-11-4-2-3-5-14(11)16/h2-5H,7,13H2,1H3/b9-8+


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