2-ethylsulfanyl-4-oxidanyl-3-phenyl-1H-pyrimidin-3-ium-6-one

Systemtic Name: 2-ethylsulfanyl-4-oxidanyl-3-phenyl-1H-pyrimidin-3-ium-6-one Openeye Name: 2-ethylsulfanyl-4-hydroxy-3-phenyl-1H-pyrimidin-3-ium-6-one CAS Name: 2-(ethylthio)-4-hydroxy-3-phenyl-1H-pyrimidin-3-ium-6-one IUPAC Name: 2-ethylsulfanyl-4-hydroxy-3-phenyl-1H-pyrimidin-3-ium-6-one Traditional Name: 2-(ethylthio)-4-hydroxy-3-phenyl-1H-pyrimidin-3-ium-6-one Formula: C12H13N2O2S+ MolecularWeight: 249.30882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=[N+](C(=CC(=O)N1)O)C2=CC=CC=C2

Isomeric SMILES

CCSC1=[N+](C(=CC(=O)N1)O)C2=CC=CC=C2

InChI

InChI=1S/C12H12N2O2S/c1-2-17-12-13-10(15)8-11(16)14(12)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,16)/p+1