5-oxidanylidene-8-(phenylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate

Systemtic Name: 5-oxidanylidene-8-(phenylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate Openeye Name: 8-benzyl-5-oxo-thiazolo[3,2-a]pyrimidin-8-ium-7-olate CAS Name: 5-oxo-8-(phenylmethyl)-7-thiazolo[3,2-a]pyrimidin-8-iumolate IUPAC Name: 8-benzyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-8-ium-7-olate Traditional Name: 8-benzyl-5-keto-thiazolo[3,2-a]pyrimidin-8-ium-7-olate Formula: C13H10N2O2S MolecularWeight: 258.2957

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C3N(C=CS3)C(=O)C=C2[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C3N(C=CS3)C(=O)C=C2[O-]

InChI

InChI=1S/C13H10N2O2S/c16-11-8-12(17)15(13-14(11)6-7-18-13)9-10-4-2-1-3-5-10/h1-8H,9H2