2-([1,2,4]triazino[4,5-a]indol-1-ylsulfanyl)ethanoic acid

Systemtic Name: 2-([1,2,4]triazino[4,5-a]indol-1-ylsulfanyl)ethanoic acid Openeye Name: 2-([1,2,4]triazino[4,5-a]indol-1-ylsulfanyl)acetic acid CAS Name: 2-([1,2,4]triazino[4,5-a]indol-1-ylthio)acetic acid IUPAC Name: 2-([1,2,4]triazino[4,5-a]indol-1-ylsulfanyl)acetic acid Traditional Name: 2-([1,2,4]triazin[4,5-a]indol-1-ylthio)acetic acid Formula: C12H9N3O2S MolecularWeight: 259.28376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3N2C=NN=C3SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C3N2C=NN=C3SCC(=O)O

InChI

InChI=1S/C12H9N3O2S/c16-11(17)6-18-12-10-5-8-3-1-2-4-9(8)15(10)7-13-14-12/h1-5,7H,6H2,(H,16,17)