4-(4-butylsulfanylphenyl)-2-fluoranyl-1-isothiocyanato-benzene

Systemtic Name: 4-(4-butylsulfanylphenyl)-2-fluoranyl-1-isothiocyanato-benzene Openeye Name: 4-(4-butylsulfanylphenyl)-2-fluoro-1-isothiocyanato-benzene CAS Name: 4-[4-(butylthio)phenyl]-2-fluoro-1-isothiocyanatobenzene IUPAC Name: 4-(4-butylsulfanylphenyl)-2-fluoro-1-isothiocyanatobenzene Traditional Name: 4-[4-(butylthio)phenyl]-2-fluoro-1-isothiocyanato-benzene Formula: C17H16FNS2 MolecularWeight: 317.444043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C2=CC(=C(C=C2)N=C=S)F

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C2=CC(=C(C=C2)N=C=S)F

InChI

InChI=1S/C17H16FNS2/c1-2-3-10-21-15-7-4-13(5-8-15)14-6-9-17(19-12-20)16(18)11-14/h4-9,11H,2-3,10H2,1H3