7-(benzotriazol-1-ylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-(benzotriazol-1-ylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-(benzotriazol-1-ylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-(1-benzotriazolylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-(benzotriazol-1-ylmethyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-(benzotriazol-1-ylmethyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C13H10N5OS+ MolecularWeight: 284.3164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=CC(=O)[N+]4=C(N3)SC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=CC(=O)[N+]4=C(N3)SC=C4

InChI

InChI=1S/C13H9N5OS/c19-12-7-9(14-13-17(12)5-6-20-13)8-18-11-4-2-1-3-10(11)15-16-18/h1-7H,8H2/p+1