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

Systemtic Name: octyl 2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C29H32N2O3S MolecularWeight: 488.64098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N2O3S/c1-3-4-5-6-7-11-18-34-28(32)21-35-29-26(20-30)25(22-14-16-24(33-2)17-15-22)19-27(31-29)23-12-9-8-10-13-23/h8-10,12-17,19H,3-7,11,18,21H2,1-2H3