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

Systemtic Name: S-[2-[4-(cyanosulfamoylmethyl)pyridin-1-ium-1-yl]ethyl] ethanethioate hydroxide Openeye Name: S-[2-[4-(cyanosulfamoylmethyl)pyridin-1-ium-1-yl]ethyl] ethanethioate hydroxide CAS Name: ethanethioic acid S-[2-[4-(cyanosulfamoylmethyl)-1-pyridin-1-iumyl]ethyl] ester hydroxide IUPAC Name: S-[2-[4-(cyanosulfamoylmethyl)pyridin-1-ium-1-yl]ethyl] ethanethioate hydroxide Traditional Name: ethanethioic acid S-[2-[4-(cyanosulfamoylmethyl)pyridin-1-ium-1-yl]ethyl] ester hydroxide Formula: C11H15N3O4S2 MolecularWeight: 317.3845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N3O3S2.H2O/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;1H2/q+1;/p-1