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

Systemtic Name: ethyl 2-[[5-cyano-3-ethyl-2-methylsulfanyl-4-(3-nitrophenyl)-4H-pyrimidin-6-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-cyano-3-ethyl-2-methylsulfanyl-4-(3-nitrophenyl)-4H-pyrimidin-6-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-3-ethyl-2-(methylthio)-4-(3-nitrophenyl)-4H-pyrimidin-6-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-cyano-3-ethyl-2-methylsulfanyl-4-(3-nitrophenyl)-4H-pyrimidin-6-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-3-ethyl-2-(methylthio)-4-(3-nitrophenyl)-4H-pyrimidin-6-yl]thio]acetic acid ethyl ester Formula: C18H20N4O4S2 MolecularWeight: 420.5058

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(=C(N=C1SC)SCC(=O)OCC)C#N)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN1C(C(=C(N=C1SC)SCC(=O)OCC)C#N)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O4S2/c1-4-21-16(12-7-6-8-13(9-12)22(24)25)14(10-19)17(20-18(21)27-3)28-11-15(23)26-5-2/h6-9,16H,4-5,11H2,1-3H3