phenyl-(2-sulfanylidene-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-1-yl)methanone

Systemtic Name: phenyl-(2-sulfanylidene-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-1-yl)methanone Openeye Name: phenyl-(2-thioxo-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-1-yl)methanone CAS Name: phenyl-(2-sulfanylidene-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-1-yl)methanone IUPAC Name: phenyl-(2-sulfanylidene-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-1-yl)methanone Traditional Name: phenyl-(2-thioxo-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-1-yl)methanone Formula: C12H9N4OS+ MolecularWeight: 257.29106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N2C(=S)NC3=NC=CC=[N+]32

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N2C(=S)NC3=NC=CC=[N+]32

InChI

InChI=1S/C12H8N4OS/c17-10(9-5-2-1-3-6-9)16-12(18)14-11-13-7-4-8-15(11)16/h1-8H/p+1