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

Systemtic Name: 6-ethyl-7-methyl-2-phenyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 6-ethyl-7-methyl-2-phenyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 6-ethyl-7-methyl-2-phenyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 6-ethyl-7-methyl-2-phenyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 6-ethyl-7-methyl-2-phenyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C14H14N3OS+ MolecularWeight: 272.34546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3OS/c1-3-11-9(2)15-14-17(13(11)18)16-12(19-14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3/p+1