2-(5H-[1,2,4]triazino[5,6-b]indol-4-ium-3-ylsulfanyl)ethanoic acid

Systemtic Name: 2-(5H-[1,2,4]triazino[5,6-b]indol-4-ium-3-ylsulfanyl)ethanoic acid Openeye Name: 2-(5H-[1,2,4]triazino[5,6-b]indol-4-ium-3-ylsulfanyl)acetic acid CAS Name: 2-(5H-[1,2,4]triazino[5,6-b]indol-4-ium-3-ylthio)acetic acid IUPAC Name: 2-(5H-[1,2,4]triazino[5,6-b]indol-4-ium-3-ylsulfanyl)acetic acid Traditional Name: 2-(5H-[1,2,4]triazin[5,6-b]indol-4-ium-3-ylthio)acetic acid Formula: C11H9N4O2S+ MolecularWeight: 261.27976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)[NH+]=C(N=N3)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)[NH+]=C(N=N3)SCC(=O)O

InChI

InChI=1S/C11H8N4O2S/c16-8(17)5-18-11-13-10-9(14-15-11)6-3-1-2-4-7(6)12-10/h1-4H,5H2,(H,16,17)(H,12,13,15)/p+1