nonyl 2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoate

Systemtic Name: nonyl 2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: nonyl 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]acetic acid nonyl ester IUPAC Name: nonyl 2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]acetic acid nonyl ester Formula: C30H34N2O3S MolecularWeight: 502.66756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CCCCCCCCCOC(=O)CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C30H34N2O3S/c1-3-4-5-6-7-8-12-19-35-29(33)22-36-30-27(21-31)26(23-15-17-25(34-2)18-16-23)20-28(32-30)24-13-10-9-11-14-24/h9-11,13-18,20H,3-8,12,19,22H2,1-2H3