ethyl 2-[[5-cyano-3-ethyl-4-(3-nitrophenyl)-2-phenyl-4H-pyrimidin-6-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-cyano-3-ethyl-4-(3-nitrophenyl)-2-phenyl-4H-pyrimidin-6-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-cyano-3-ethyl-4-(3-nitrophenyl)-2-phenyl-4H-pyrimidin-6-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-3-ethyl-4-(3-nitrophenyl)-2-phenyl-4H-pyrimidin-6-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-cyano-3-ethyl-4-(3-nitrophenyl)-2-phenyl-4H-pyrimidin-6-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-3-ethyl-4-(3-nitrophenyl)-2-phenyl-4H-pyrimidin-6-yl]thio]acetic acid ethyl ester Formula: C23H22N4O4S MolecularWeight: 450.51018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(=C(N=C1C2=CC=CC=C2)SCC(=O)OCC)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(C(=C(N=C1C2=CC=CC=C2)SCC(=O)OCC)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O4S/c1-3-26-21(17-11-8-12-18(13-17)27(29)30)19(14-24)23(32-15-20(28)31-4-2)25-22(26)16-9-6-5-7-10-16/h5-13,21H,3-4,15H2,1-2H3