2-(1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-ylsulfanyl)ethanoate

Systemtic Name: 2-(1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-ylsulfanyl)ethanoate Openeye Name: 2-(1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-ylsulfanyl)acetate CAS Name: 2-(1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-ylthio)acetate IUPAC Name: 2-(1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-ylsulfanyl)acetate Traditional Name: 2-(1,2,3,4-tetrahydro-s-triazin-3-ium-6-ylthio)acetate Formula: C5H9N3O2S MolecularWeight: 175.20886

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Descriptors Computed from Structure

Canonical SMILES:

C1[NH2+]CN=C(N1)SCC(=O)[O-]

Isomeric SMILES

C1[NH2+]CN=C(N1)SCC(=O)[O-]

InChI

InChI=1S/C5H9N3O2S/c9-4(10)1-11-5-7-2-6-3-8-5/h6H,1-3H2,(H,7,8)(H,9,10)