S-[2-[4-(cyanosulfamoylmethyl)pyridin-1-ium-1-yl]ethyl] ethanethioate

Systemtic Name: S-[2-[4-(cyanosulfamoylmethyl)pyridin-1-ium-1-yl]ethyl] ethanethioate Openeye Name: S-[2-[4-(cyanosulfamoylmethyl)pyridin-1-ium-1-yl]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[4-(cyanosulfamoylmethyl)-1-pyridin-1-iumyl]ethyl] ester IUPAC Name: S-[2-[4-(cyanosulfamoylmethyl)pyridin-1-ium-1-yl]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[4-(cyanosulfamoylmethyl)pyridin-1-ium-1-yl]ethyl] ester Formula: C11H14N3O3S2+ MolecularWeight: 300.37716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC[N+]1=CC=C(C=C1)CS(=O)(=O)NC#N

Isomeric SMILES

CC(=O)SCC[N+]1=CC=C(C=C1)CS(=O)(=O)NC#N

InChI

InChI=1S/C11H14N3O3S2/c1-10(15)18-7-6-14-4-2-11(3-5-14)8-19(16,17)13-9-12/h2-5,13H,6-8H2,1H3/q+1