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

Systemtic Name: 3-fluoranyl-4-[(1E,3E)-4-(5-sulfanyl-1,3-dioxan-2-yl)buta-1,3-dienyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[(1E,3E)-4-(5-sulfanyl-1,3-dioxan-2-yl)buta-1,3-dienyl]benzonitrile CAS Name: 3-fluoro-4-[(1E,3E)-4-(5-mercapto-1,3-dioxan-2-yl)buta-1,3-dienyl]benzonitrile IUPAC Name: 3-fluoro-4-[(1E,3E)-4-(5-sulfanyl-1,3-dioxan-2-yl)buta-1,3-dienyl]benzonitrile Traditional Name: 3-fluoro-4-[(1E,3E)-4-(5-mercapto-1,3-dioxan-2-yl)buta-1,3-dienyl]benzonitrile Formula: C15H14FNO2S MolecularWeight: 291.340563

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC(O1)C=CC=CC2=C(C=C(C=C2)C#N)F)S

Isomeric SMILES

C1C(COC(O1)/C=C/C=C/C2=C(C=C(C=C2)C#N)F)S

InChI

InChI=1S/C15H14FNO2S/c16-14-7-11(8-17)5-6-12(14)3-1-2-4-15-18-9-13(20)10-19-15/h1-7,13,15,20H,9-10H2/b3-1+,4-2+