ethyl 2-[2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylcyclohexylidene]-2-cyano-ethanoate

Systemtic Name: ethyl 2-[2-[6-(4-bromophenyl)-3-cyano-4-phenyl-pyridin-2-yl]sulfanylcyclohexylidene]-2-cyano-ethanoate Openeye Name: ethyl 2-[2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]sulfanyl]cyclohexylidene]-2-cyano-acetate CAS Name: 2-[2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridinyl]thio]cyclohexylidene]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-[2-[6-(4-bromophenyl)-3-cyano-4-phenylpyridin-2-yl]sulfanylcyclohexylidene]-2-cyanoacetate Traditional Name: 2-[2-[[6-(4-bromophenyl)-3-cyano-4-phenyl-2-pyridyl]thio]cyclohexylidene]-2-cyano-acetic acid ethyl ester Formula: C29H24BrN3O2S MolecularWeight: 558.48876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1CCCCC1SC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N)C#N

Isomeric SMILES

CCOC(=O)C(=C1CCCCC1SC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C#N)C#N

InChI

InChI=1S/C29H24BrN3O2S/c1-2-35-29(34)25(18-32)22-10-6-7-11-27(22)36-28-24(17-31)23(19-8-4-3-5-9-19)16-26(33-28)20-12-14-21(30)15-13-20/h3-5,8-9,12-16,27H,2,6-7,10-11H2,1H3