cyclohexyl 2-[4,6-bis(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylethanoate

Systemtic Name: cyclohexyl 2-[4,6-bis(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylethanoate Openeye Name: cyclohexyl 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanylacetate Traditional Name: 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridyl]thio]acetic acid cyclohexyl ester Formula: C26H22Cl2N2O2S MolecularWeight: 497.43608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C26H22Cl2N2O2S/c27-19-10-6-17(7-11-19)22-14-24(18-8-12-20(28)13-9-18)30-26(23(22)15-29)33-16-25(31)32-21-4-2-1-3-5-21/h6-14,21H,1-5,16H2