[3-[5-[2-(2-cyanopropylsulfanyl)phenyl]-1-methyl-4-oxidanylidene-pyridin-3-yl]-5-ethyl-phenyl] ethanoate

Systemtic Name: [3-[5-[2-(2-cyanopropylsulfanyl)phenyl]-1-methyl-4-oxidanylidene-pyridin-3-yl]-5-ethyl-phenyl] ethanoate Openeye Name: [3-[5-[2-(2-cyanopropylsulfanyl)phenyl]-1-methyl-4-oxo-3-pyridyl]-5-ethyl-phenyl] acetate CAS Name: acetic acid [3-[5-[2-(2-cyanopropylthio)phenyl]-1-methyl-4-oxo-3-pyridinyl]-5-ethylphenyl] ester IUPAC Name: [3-[5-[2-(2-cyanopropylsulfanyl)phenyl]-1-methyl-4-oxopyridin-3-yl]-5-ethylphenyl] acetate Traditional Name: acetic acid [3-[5-[2-(2-cyanopropylthio)phenyl]-4-keto-1-methyl-3-pyridyl]-5-ethyl-phenyl] ester Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)C2=CN(C=C(C2=O)C3=CC=CC=C3SCC(C)C#N)C)OC(=O)C

Isomeric SMILES

CCC1=CC(=CC(=C1)C2=CN(C=C(C2=O)C3=CC=CC=C3SCC(C)C#N)C)OC(=O)C

InChI

InChI=1S/C26H26N2O3S/c1-5-19-10-20(12-21(11-19)31-18(3)29)23-14-28(4)15-24(26(23)30)22-8-6-7-9-25(22)32-16-17(2)13-27/h6-12,14-15,17H,5,16H2,1-4H3