2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl carbamimidothioate

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)ethyl carbamimidothioate Openeye Name: 2-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]isothiourea CAS Name: carbamimidothioic acid 2-(1-oxido-2-pyridin-1-iumyl)ethyl ester IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)ethyl carbamimidothioate Traditional Name: 2-[2-(1-oxidopyridin-1-ium-2-yl)ethyl]isothiourea Formula: C8H11N3OS MolecularWeight: 197.25744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)CCSC(=N)N)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)CCSC(=N)N)[O-]

InChI

InChI=1S/C8H11N3OS/c9-8(10)13-6-4-7-3-1-2-5-11(7)12/h1-3,5H,4,6H2,(H3,9,10)