4-phenylpyrido[2,1-f][1,2,4]triazin-9-ium-2-thiolate

Systemtic Name: 4-phenylpyrido[2,1-f][1,2,4]triazin-9-ium-2-thiolate Openeye Name: 4-phenylpyrido[2,1-f][1,2,4]triazin-9-ium-2-thiolate CAS Name: 4-phenyl-2-pyrido[2,1-f][1,2,4]triazin-9-iumthiolate IUPAC Name: 4-phenylpyrido[2,1-f][1,2,4]triazin-9-ium-2-thiolate Traditional Name: 4-phenylpyrido[2,1-f][1,2,4]triazin-9-ium-2-thiolate Formula: C13H9N3S MolecularWeight: 239.29566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=N[N+]3=CC=CC=C23)[S-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=N[N+]3=CC=CC=C23)[S-]

InChI

InChI=1S/C13H9N3S/c17-13-14-12(10-6-2-1-3-7-10)11-8-4-5-9-16(11)15-13/h1-9H