ethyl 2-cyano-2-[2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylcyclohexylidene]ethanoate

Systemtic Name: ethyl 2-cyano-2-[2-(3-cyano-4,6-diphenyl-pyridin-2-yl)sulfanylcyclohexylidene]ethanoate Openeye Name: ethyl 2-cyano-2-[2-[(3-cyano-4,6-diphenyl-2-pyridyl)sulfanyl]cyclohexylidene]acetate CAS Name: 2-cyano-2-[2-[(3-cyano-4,6-diphenyl-2-pyridinyl)thio]cyclohexylidene]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanylcyclohexylidene]acetate Traditional Name: 2-cyano-2-[2-[(3-cyano-4,6-diphenyl-2-pyridyl)thio]cyclohexylidene]acetic acid ethyl ester Formula: C29H25N3O2S MolecularWeight: 479.5927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25N3O2S/c1-2-34-29(33)25(19-31)22-15-9-10-16-27(22)35-28-24(18-30)23(20-11-5-3-6-12-20)17-26(32-28)21-13-7-4-8-14-21/h3-8,11-14,17,27H,2,9-10,15-16H2,1H3