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

Systemtic Name: 6-ethyl-7-methyl-2-(phenylmethylsulfanyl)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 2-benzylsulfanyl-6-ethyl-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 6-ethyl-7-methyl-2-(phenylmethylthio)-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 2-benzylsulfanyl-6-ethyl-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 2-(benzylthio)-6-ethyl-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C15H16N3OS2+ MolecularWeight: 318.43704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC2=[N+](C1=O)N=C(S2)SCC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(NC2=[N+](C1=O)N=C(S2)SCC3=CC=CC=C3)C

InChI

InChI=1S/C15H15N3OS2/c1-3-12-10(2)16-14-18(13(12)19)17-15(21-14)20-9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3/p+1