5-[(E)-2-(4-butoxyphenyl)ethenyl]-1,3-bis(fluoranyl)-2-isothiocyanato-benzene

Systemtic Name: 5-[(E)-2-(4-butoxyphenyl)ethenyl]-1,3-bis(fluoranyl)-2-isothiocyanato-benzene Openeye Name: 5-[(E)-2-(4-butoxyphenyl)vinyl]-1,3-difluoro-2-isothiocyanato-benzene CAS Name: 5-[(E)-2-(4-butoxyphenyl)ethenyl]-1,3-difluoro-2-isothiocyanatobenzene IUPAC Name: 5-[(E)-2-(4-butoxyphenyl)ethenyl]-1,3-difluoro-2-isothiocyanatobenzene Traditional Name: 5-[(E)-2-(4-butoxyphenyl)vinyl]-1,3-difluoro-2-isothiocyanato-benzene Formula: C19H17F2NOS MolecularWeight: 345.406186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)F)N=C=S)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C2=CC(=C(C(=C2)F)N=C=S)F

InChI

InChI=1S/C19H17F2NOS/c1-2-3-10-23-16-8-6-14(7-9-16)4-5-15-11-17(20)19(22-13-24)18(21)12-15/h4-9,11-12H,2-3,10H2,1H3/b5-4+