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

Systemtic Name: 7-methyl-2-(phenylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 2-benzyl-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-methyl-2-(phenylmethyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 2-benzyl-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 2-benzyl-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C13H12N3OS+ MolecularWeight: 258.31888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)[N+]2=C(N1)SC(=N2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)[N+]2=C(N1)SC(=N2)CC3=CC=CC=C3

InChI

InChI=1S/C13H11N3OS/c1-9-7-12(17)16-13(14-9)18-11(15-16)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3/p+1