6-bromanyl-7-methyl-2-phenyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 6-bromanyl-7-methyl-2-phenyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 6-bromo-7-methyl-2-phenyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 6-bromo-7-methyl-2-phenyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 6-bromo-7-methyl-2-phenyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 6-bromo-7-methyl-2-phenyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C12H9BrN3OS+ MolecularWeight: 323.18836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[N+]2=C(N1)SC(=N2)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C(=O)[N+]2=C(N1)SC(=N2)C3=CC=CC=C3)Br

InChI

InChI=1S/C12H8BrN3OS/c1-7-9(13)11(17)16-12(14-7)18-10(15-16)8-5-3-2-4-6-8/h2-6H,1H3/p+1