3-(4-ethoxyphenyl)-2-ethylsulfanyl-6-oxidanylidene-1-phenyl-5-propyl-pyrimidin-3-ium-4-olate

Systemtic Name: 3-(4-ethoxyphenyl)-2-ethylsulfanyl-6-oxidanylidene-1-phenyl-5-propyl-pyrimidin-3-ium-4-olate Openeye Name: 3-(4-ethoxyphenyl)-2-ethylsulfanyl-6-oxo-1-phenyl-5-propyl-pyrimidin-3-ium-4-olate CAS Name: 3-(4-ethoxyphenyl)-2-(ethylthio)-6-oxo-1-phenyl-5-propyl-4-pyrimidin-3-iumolate IUPAC Name: 3-(4-ethoxyphenyl)-2-ethylsulfanyl-6-oxo-1-phenyl-5-propylpyrimidin-3-ium-4-olate Traditional Name: 2-(ethylthio)-6-keto-1-phenyl-3-p-phenetyl-5-propyl-pyrimidin-3-ium-4-olate Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C([N+](=C(N(C1=O)C2=CC=CC=C2)SCC)C3=CC=C(C=C3)OCC)[O-]

Isomeric SMILES

CCCC1=C([N+](=C(N(C1=O)C2=CC=CC=C2)SCC)C3=CC=C(C=C3)OCC)[O-]

InChI

InChI=1S/C23H26N2O3S/c1-4-10-20-21(26)24(17-11-8-7-9-12-17)23(29-6-3)25(22(20)27)18-13-15-19(16-14-18)28-5-2/h7-9,11-16H,4-6,10H2,1-3H3