cyclohexyl 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylbutanoate

Systemtic Name: cyclohexyl 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylbutanoate Openeye Name: cyclohexyl 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]butanoate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]butanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylbutanoate Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]butyric acid cyclohexyl ester Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1CCCCC1)SC2=C(C(=CC(=N2)C)C)C#N

Isomeric SMILES

CCC(C(=O)OC1CCCCC1)SC2=C(C(=CC(=N2)C)C)C#N

InChI

InChI=1S/C18H24N2O2S/c1-4-16(18(21)22-14-8-6-5-7-9-14)23-17-15(11-19)12(2)10-13(3)20-17/h10,14,16H,4-9H2,1-3H3