6-bromanyl-2-(4-nitrophenyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 6-bromanyl-2-(4-nitrophenyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 6-bromo-2-(4-nitrophenyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 6-bromo-2-(4-nitrophenyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 6-bromo-2-(4-nitrophenyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 6-bromo-2-(4-nitrophenyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C11H6BrN4O3S+ MolecularWeight: 354.15934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=N[N+]3=C(S2)NC=C(C3=O)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=N[N+]3=C(S2)NC=C(C3=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C11H5BrN4O3S/c12-8-5-13-11-15(10(8)17)14-9(20-11)6-1-3-7(4-2-6)16(18)19/h1-5H/p+1