2-ethylsulfanyl-3,5-dimethyl-6-oxidanylidene-1-phenyl-pyrimidin-3-ium-4-olate

Systemtic Name: 2-ethylsulfanyl-3,5-dimethyl-6-oxidanylidene-1-phenyl-pyrimidin-3-ium-4-olate Openeye Name: 2-ethylsulfanyl-3,5-dimethyl-6-oxo-1-phenyl-pyrimidin-3-ium-4-olate CAS Name: 2-(ethylthio)-3,5-dimethyl-6-oxo-1-phenyl-4-pyrimidin-3-iumolate IUPAC Name: 2-ethylsulfanyl-3,5-dimethyl-6-oxo-1-phenylpyrimidin-3-ium-4-olate Traditional Name: 2-(ethylthio)-6-keto-3,5-dimethyl-1-phenyl-pyrimidin-3-ium-4-olate Formula: C14H16N2O2S MolecularWeight: 276.35404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=[N+](C(=C(C(=O)N1C2=CC=CC=C2)C)[O-])C

Isomeric SMILES

CCSC1=[N+](C(=C(C(=O)N1C2=CC=CC=C2)C)[O-])C

InChI

InChI=1S/C14H16N2O2S/c1-4-19-14-15(3)12(17)10(2)13(18)16(14)11-8-6-5-7-9-11/h5-9H,4H2,1-3H3