(E)-1-(4-methoxyphenyl)-3-methylsulfanyl-3-(pyridin-3-ylamino)prop-2-en-1-one

Systemtic Name: (E)-1-(4-methoxyphenyl)-3-methylsulfanyl-3-(pyridin-3-ylamino)prop-2-en-1-one Openeye Name: (E)-1-(4-methoxyphenyl)-3-methylsulfanyl-3-(3-pyridylamino)prop-2-en-1-one CAS Name: (E)-1-(4-methoxyphenyl)-3-(methylthio)-3-(3-pyridinylamino)-2-propen-1-one IUPAC Name: (E)-1-(4-methoxyphenyl)-3-methylsulfanyl-3-(pyridin-3-ylamino)prop-2-en-1-one Traditional Name: (E)-1-(4-methoxyphenyl)-3-(methylthio)-3-(3-pyridylamino)prop-2-en-1-one Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C=C(NC2=CN=CC=C2)SC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C=C(\NC2=CN=CC=C2)/SC

InChI

InChI=1S/C16H16N2O2S/c1-20-14-7-5-12(6-8-14)15(19)10-16(21-2)18-13-4-3-9-17-11-13/h3-11,18H,1-2H3/b16-10+