1-azanyl-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-2-thiolate

Systemtic Name: 1-azanyl-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-2-thiolate Openeye Name: 1-amino-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-2-thiolate CAS Name: 1-amino-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-2-thiolate IUPAC Name: 1-amino-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-2-thiolate Traditional Name: 1-amino-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-2-thiolate Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C4=[N+]2N=C(N4N)[S-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C4=[N+]2N=C(N4N)[S-]

InChI

InChI=1S/C16H13N5OS/c1-22-11-8-6-10(7-9-11)14-18-13-5-3-2-4-12(13)15-20(17)16(23)19-21(14)15/h2-9H,17H2,1H3