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

Systemtic Name: 7-methyl-2-(4-nitrophenyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-methyl-2-(4-nitrophenyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-methyl-2-(4-nitrophenyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-methyl-2-(4-nitrophenyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-methyl-2-(4-nitrophenyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C12H9N4O3S+ MolecularWeight: 289.28986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N4O3S/c1-7-6-10(17)15-12(13-7)20-11(14-15)8-2-4-9(5-3-8)16(18)19/h2-6H,1H3/p+1