sodium 5H-[1,2,4]triazino[5,6-b]indole-3-thiolate dihydrate

Systemtic Name: sodium 5H-[1,2,4]triazino[5,6-b]indole-3-thiolate dihydrate Openeye Name: sodium 5H-[1,2,4]triazino[5,6-b]indole-3-thiolate dihydrate CAS Name: sodium 5H-[1,2,4]triazino[5,6-b]indole-3-thiolate dihydrate IUPAC Name: sodium 5H-[1,2,4]triazino[5,6-b]indole-3-thiolate dihydrate Traditional Name: sodium 5H-[1,2,4]triazin[5,6-b]indole-3-thiolate dihydrate Formula: C9H9N4NaO2S MolecularWeight: 260.24813

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)[S-].O.O.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)[S-].O.O.[Na+]

InChI

InChI=1S/C9H6N4S.Na.2H2O/c14-9-11-8-7(12-13-9)5-3-1-2-4-6(5)10-8;;;/h1-4H,(H2,10,11,13,14);;2*1H2/q;+1;;/p-1