8-ethyl-6-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5,7-dione

Systemtic Name: 8-ethyl-6-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5,7-dione Openeye Name: 8-ethyl-6-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5,7-dione CAS Name: 8-ethyl-6-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5,7-dione IUPAC Name: 8-ethyl-6-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5,7-dione Traditional Name: 8-ethyl-6-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5,7-quinone Formula: C13H12N3O2S+ MolecularWeight: 274.31828

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2N(C(=O)C(C1=O)C3=CC=CC=C3)N=CS2

Isomeric SMILES

CC[N+]1=C2N(C(=O)C(C1=O)C3=CC=CC=C3)N=CS2

InChI

InChI=1S/C13H12N3O2S/c1-2-15-11(17)10(9-6-4-3-5-7-9)12(18)16-13(15)19-8-14-16/h3-8,10H,2H2,1H3/q+1