7-[5-ethenyl-2-[5-[4-(methoxymethyl)-3-prop-2-enylsulfanyl-phenyl]-1-methyl-4-oxidanylidene-pyridin-3-yl]phenyl]heptanenitrile

Systemtic Name: 7-[5-ethenyl-2-[5-[4-(methoxymethyl)-3-prop-2-enylsulfanyl-phenyl]-1-methyl-4-oxidanylidene-pyridin-3-yl]phenyl]heptanenitrile Openeye Name: 7-[2-[5-[3-allylsulfanyl-4-(methoxymethyl)phenyl]-1-methyl-4-oxo-3-pyridyl]-5-vinyl-phenyl]heptanenitrile CAS Name: 7-[5-ethenyl-2-[5-[4-(methoxymethyl)-3-(prop-2-enylthio)phenyl]-1-methyl-4-oxo-3-pyridinyl]phenyl]heptanenitrile IUPAC Name: 7-[5-ethenyl-2-[5-[4-(methoxymethyl)-3-prop-2-enylsulfanylphenyl]-1-methyl-4-oxopyridin-3-yl]phenyl]heptanenitrile Traditional Name: 7-[2-[5-[3-(allylthio)-4-(methoxymethyl)phenyl]-4-keto-1-methyl-3-pyridyl]-5-vinyl-phenyl]enanthonitrile Formula: C32H36N2O2S MolecularWeight: 512.70544

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H36N2O2S/c1-5-18-37-31-20-26(14-15-27(31)23-36-4)29-21-34(3)22-30(32(29)35)28-16-13-24(6-2)19-25(28)12-10-8-7-9-11-17-33/h5-6,13-16,19-22H,1-2,7-12,18,23H2,3-4H3