3-[5-ethenyl-2-[5-[4-(methoxymethyl)-3-prop-2-enylsulfanyl-phenyl]-1-methyl-4-oxidanylidene-pyridin-3-yl]phenyl]propanenitrile

Systemtic Name: 3-[5-ethenyl-2-[5-[4-(methoxymethyl)-3-prop-2-enylsulfanyl-phenyl]-1-methyl-4-oxidanylidene-pyridin-3-yl]phenyl]propanenitrile Openeye Name: 3-[2-[5-[3-allylsulfanyl-4-(methoxymethyl)phenyl]-1-methyl-4-oxo-3-pyridyl]-5-vinyl-phenyl]propanenitrile CAS Name: 3-[5-ethenyl-2-[5-[4-(methoxymethyl)-3-(prop-2-enylthio)phenyl]-1-methyl-4-oxo-3-pyridinyl]phenyl]propanenitrile IUPAC Name: 3-[5-ethenyl-2-[5-[4-(methoxymethyl)-3-prop-2-enylsulfanylphenyl]-1-methyl-4-oxopyridin-3-yl]phenyl]propanenitrile Traditional Name: 3-[2-[5-[3-(allylthio)-4-(methoxymethyl)phenyl]-4-keto-1-methyl-3-pyridyl]-5-vinyl-phenyl]propionitrile Formula: C28H28N2O2S MolecularWeight: 456.59912

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C(=C1)C2=C(C=C(C=C2)C=C)CCC#N)C3=CC(=C(C=C3)COC)SCC=C

Isomeric SMILES

CN1C=C(C(=O)C(=C1)C2=C(C=C(C=C2)C=C)CCC#N)C3=CC(=C(C=C3)COC)SCC=C

InChI

InChI=1S/C28H28N2O2S/c1-5-14-33-27-16-22(10-11-23(27)19-32-4)25-17-30(3)18-26(28(25)31)24-12-9-20(6-2)15-21(24)8-7-13-29/h5-6,9-12,15-18H,1-2,7-8,14,19H2,3-4H3