2-[(1E)-buta-1,3-dienyl]-4-(1,3-dioxan-2-yl)-3-fluoranyl-5-propylsulfanyl-benzenecarbonitrile

Systemtic Name: 2-[(1E)-buta-1,3-dienyl]-4-(1,3-dioxan-2-yl)-3-fluoranyl-5-propylsulfanyl-benzenecarbonitrile Openeye Name: 2-[(1E)-buta-1,3-dienyl]-4-(1,3-dioxan-2-yl)-3-fluoro-5-propylsulfanyl-benzonitrile CAS Name: 2-[(1E)-buta-1,3-dienyl]-4-(1,3-dioxan-2-yl)-3-fluoro-5-(propylthio)benzonitrile IUPAC Name: 2-[(1E)-buta-1,3-dienyl]-4-(1,3-dioxan-2-yl)-3-fluoro-5-propylsulfanylbenzonitrile Traditional Name: 2-[(1E)-buta-1,3-dienyl]-4-(1,3-dioxan-2-yl)-3-fluoro-5-(propylthio)benzonitrile Formula: C18H20FNO2S MolecularWeight: 333.420303

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=C(C(=C1)C#N)C=CC=C)F)C2OCCCO2

Isomeric SMILES

CCCSC1=C(C(=C(C(=C1)C#N)/C=C/C=C)F)C2OCCCO2

InChI

InChI=1S/C18H20FNO2S/c1-3-5-7-14-13(12-20)11-15(23-10-4-2)16(17(14)19)18-21-8-6-9-22-18/h3,5,7,11,18H,1,4,6,8-10H2,2H3/b7-5+