(4E)-1,1-bis(ethylsulfanyl)-2-(4-methoxyphenyl)-5-pyridin-2-yl-penta-1,4-dien-3-one

Systemtic Name: (4E)-1,1-bis(ethylsulfanyl)-2-(4-methoxyphenyl)-5-pyridin-2-yl-penta-1,4-dien-3-one Openeye Name: (4E)-1,1-bis(ethylsulfanyl)-2-(4-methoxyphenyl)-5-(2-pyridyl)penta-1,4-dien-3-one CAS Name: (4E)-1,1-bis(ethylthio)-2-(4-methoxyphenyl)-5-(2-pyridinyl)-3-penta-1,4-dienone IUPAC Name: (4E)-1,1-bis(ethylsulfanyl)-2-(4-methoxyphenyl)-5-pyridin-2-ylpenta-1,4-dien-3-one Traditional Name: (4E)-1,1-bis(ethylthio)-2-(4-methoxyphenyl)-5-(2-pyridyl)penta-1,4-dien-3-one Formula: C21H23NO2S2 MolecularWeight: 385.54282

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=C(C1=CC=C(C=C1)OC)C(=O)C=CC2=CC=CC=N2)SCC

Isomeric SMILES

CCSC(=C(C1=CC=C(C=C1)OC)C(=O)/C=C/C2=CC=CC=N2)SCC

InChI

InChI=1S/C21H23NO2S2/c1-4-25-21(26-5-2)20(16-9-12-18(24-3)13-10-16)19(23)14-11-17-8-6-7-15-22-17/h6-15H,4-5H2,1-3H3/b14-11+