2-(4-nitrophenyl)-1H-pyrido[2,1-f][1,2,4]triazin-9-ium-4-thione

Systemtic Name: 2-(4-nitrophenyl)-1H-pyrido[2,1-f][1,2,4]triazin-9-ium-4-thione Openeye Name: 2-(4-nitrophenyl)-1H-pyrido[2,1-f][1,2,4]triazin-9-ium-4-thione CAS Name: 2-(4-nitrophenyl)-1H-pyrido[2,1-f][1,2,4]triazin-9-ium-4-thione IUPAC Name: 2-(4-nitrophenyl)-1H-pyrido[2,1-f][1,2,4]triazin-9-ium-4-thione Traditional Name: 2-(4-nitrophenyl)-1H-pyrido[2,1-f][1,2,4]triazin-9-ium-4-thione Formula: C13H9N4O2S+ MolecularWeight: 285.30116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)C(=S)N=C(N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=[N+]2C(=C1)C(=S)N=C(N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O2S/c18-17(19)10-6-4-9(5-7-10)12-14-13(20)11-3-1-2-8-16(11)15-12/h1-8H/p+1