2-phenyl-7-(sulfanylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 2-phenyl-7-(sulfanylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 2-phenyl-7-(sulfanylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-(mercaptomethyl)-2-phenyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 2-phenyl-7-(sulfanylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-(mercaptomethyl)-2-phenyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C12H10N3OS2+ MolecularWeight: 276.3573

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=N[N+]3=C(S2)NC(=CC3=O)CS

Isomeric SMILES

C1=CC=C(C=C1)C2=N[N+]3=C(S2)NC(=CC3=O)CS

InChI

InChI=1S/C12H9N3OS2/c16-10-6-9(7-17)13-12-15(10)14-11(18-12)8-4-2-1-3-5-8/h1-6,17H,7H2/p+1