7-oxidanyl-8-(phenylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5-one

Systemtic Name: 7-oxidanyl-8-(phenylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5-one Openeye Name: 8-benzyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5-one CAS Name: 7-hydroxy-8-(phenylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5-one IUPAC Name: 8-benzyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5-one Traditional Name: 8-benzyl-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-5-one Formula: C12H10N3O2S+ MolecularWeight: 260.2917

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C3N(C(=O)C=C2O)N=CS3

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C3N(C(=O)C=C2O)N=CS3

InChI

InChI=1S/C12H9N3O2S/c16-10-6-11(17)15-12(18-8-13-15)14(10)7-9-4-2-1-3-5-9/h1-6,8H,7H2/p+1