2-(4-sulfanylidene-1,3,5-triazinan-1-yl)ethanesulfonate

Systemtic Name: 2-(4-sulfanylidene-1,3,5-triazinan-1-yl)ethanesulfonate Openeye Name: 2-(4-thioxo-1,3,5-triazinan-1-yl)ethanesulfonate CAS Name: 2-(4-sulfanylidene-1,3,5-triazinan-1-yl)ethanesulfonate IUPAC Name: 2-(4-sulfanylidene-1,3,5-triazinan-1-yl)ethanesulfonate Traditional Name: 2-(4-thioxo-1,3,5-triazinan-1-yl)ethanesulfonate Formula: C5H10N3O3S2- MolecularWeight: 224.2812

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=S)NCN1CCS(=O)(=O)[O-]

Isomeric SMILES

C1NC(=S)NCN1CCS(=O)(=O)[O-]

InChI

InChI=1S/C5H11N3O3S2/c9-13(10,11)2-1-8-3-6-5(12)7-4-8/h1-4H2,(H2,6,7,12)(H,9,10,11)/p-1