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

Systemtic Name: 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoate Openeye Name: 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoate CAS Name: 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)propanoate IUPAC Name: 3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoate Traditional Name: 3-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)propionate Formula: C12H9N4O2S- MolecularWeight: 273.29046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)SCCC(=O)[O-]

InChI

InChI=1S/C12H10N4O2S/c17-9(18)5-6-19-12-14-11-10(15-16-12)7-3-1-2-4-8(7)13-11/h1-4H,5-6H2,(H,17,18)(H,13,14,16)/p-1