(1E,4E)-5-(4-methoxyphenyl)-1-methylsulfanyl-1-(pyridin-2-ylamino)penta-1,4-dien-3-one

Systemtic Name: (1E,4E)-5-(4-methoxyphenyl)-1-methylsulfanyl-1-(pyridin-2-ylamino)penta-1,4-dien-3-one Openeye Name: (1E,4E)-5-(4-methoxyphenyl)-1-methylsulfanyl-1-(2-pyridylamino)penta-1,4-dien-3-one CAS Name: (1E,4E)-5-(4-methoxyphenyl)-1-(methylthio)-1-(2-pyridinylamino)-3-penta-1,4-dienone IUPAC Name: (1E,4E)-5-(4-methoxyphenyl)-1-methylsulfanyl-1-(pyridin-2-ylamino)penta-1,4-dien-3-one Traditional Name: (1E,4E)-5-(4-methoxyphenyl)-1-(methylthio)-1-(2-pyridylamino)penta-1,4-dien-3-one Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)C=C(NC2=CC=CC=N2)SC

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)/C=C(\NC2=CC=CC=N2)/SC

InChI

InChI=1S/C18H18N2O2S/c1-22-16-10-7-14(8-11-16)6-9-15(21)13-18(23-2)20-17-5-3-4-12-19-17/h3-13H,1-2H3,(H,19,20)/b9-6+,18-13+