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

Systemtic Name: 6-ethyl-7-methyl-2-(2-propylsulfonylethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 6-ethyl-7-methyl-2-(2-propylsulfonylethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 6-ethyl-7-methyl-2-(2-propylsulfonylethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 6-ethyl-7-methyl-2-(2-propylsulfonylethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 6-ethyl-7-methyl-2-(2-propylsulfonylethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C13H20N3O3S2+ MolecularWeight: 330.4462

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)CCC1=N[N+]2=C(S1)NC(=C(C2=O)CC)C

Isomeric SMILES

CCCS(=O)(=O)CCC1=N[N+]2=C(S1)NC(=C(C2=O)CC)C

InChI

InChI=1S/C13H19N3O3S2/c1-4-7-21(18,19)8-6-11-15-16-12(17)10(5-2)9(3)14-13(16)20-11/h4-8H2,1-3H3/p+1