diethyl 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylpropanedioate

Systemtic Name: diethyl 2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylpropanedioate Openeye Name: diethyl 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]sulfanyl]propanedioate CAS Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanylpropanedioate Traditional Name: 2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]thio]malonic acid diethyl ester Formula: C25H21BrN2O4S MolecularWeight: 525.41424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=C(C(=CC(=N1)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

InChI

InChI=1S/C25H21BrN2O4S/c1-3-31-24(29)22(25(30)32-4-2)33-23-20(15-27)19(16-8-6-5-7-9-16)14-21(28-23)17-10-12-18(26)13-11-17/h5-14,22H,3-4H2,1-2H3