7-(1H-benzimidazol-2-ylsulfanylmethyl)-2-ethyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-(1H-benzimidazol-2-ylsulfanylmethyl)-2-ethyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-(1H-benzimidazol-2-ylsulfanylmethyl)-2-ethyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-[(1H-benzimidazol-2-ylthio)methyl]-2-ethyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-(1H-benzimidazol-2-ylsulfanylmethyl)-2-ethyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-[(1H-benzimidazol-2-ylthio)methyl]-2-ethyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C15H14N5OS2+ MolecularWeight: 344.43456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=N[N+]2=C(S1)NC(=CC2=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCC1=N[N+]2=C(S1)NC(=CC2=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C15H13N5OS2/c1-2-12-19-20-13(21)7-9(16-15(20)23-12)8-22-14-17-10-5-3-4-6-11(10)18-14/h3-7H,2,8H2,1H3,(H,17,18)/p+1