3-(phenylcarbonyl)-2-sulfanylidene-pyrido[2,1-f][1,2,4]triazin-9-ium-4-olate

Systemtic Name: 3-(phenylcarbonyl)-2-sulfanylidene-pyrido[2,1-f][1,2,4]triazin-9-ium-4-olate Openeye Name: 3-benzoyl-2-thioxo-pyrido[2,1-f][1,2,4]triazin-9-ium-4-olate CAS Name: 3-benzoyl-2-sulfanylidene-4-pyrido[2,1-f][1,2,4]triazin-9-iumolate IUPAC Name: 3-benzoyl-2-sulfanylidenepyrido[2,1-f][1,2,4]triazin-9-ium-4-olate Traditional Name: 3-benzoyl-2-thioxo-pyrido[2,1-f][1,2,4]triazin-9-ium-4-olate Formula: C14H9N3O2S MolecularWeight: 283.30516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C(=C3C=CC=C[N+]3=NC2=S)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C(=C3C=CC=C[N+]3=NC2=S)[O-]

InChI

InChI=1S/C14H9N3O2S/c18-12(10-6-2-1-3-7-10)17-13(19)11-8-4-5-9-16(11)15-14(17)20/h1-9H