1-butylsulfanyl-2-chloranyl-4-fluoranyl-5-isothiocyanato-benzene

Systemtic Name: 1-butylsulfanyl-2-chloranyl-4-fluoranyl-5-isothiocyanato-benzene Openeye Name: 1-butylsulfanyl-2-chloro-4-fluoro-5-isothiocyanato-benzene CAS Name: 1-(butylthio)-2-chloro-4-fluoro-5-isothiocyanatobenzene IUPAC Name: 1-butylsulfanyl-2-chloro-4-fluoro-5-isothiocyanatobenzene Traditional Name: 1-(butylthio)-2-chloro-4-fluoro-5-isothiocyanato-benzene Formula: C11H11ClFNS2 MolecularWeight: 275.793143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C(=C1)N=C=S)F)Cl

Isomeric SMILES

CCCCSC1=C(C=C(C(=C1)N=C=S)F)Cl

InChI

InChI=1S/C11H11ClFNS2/c1-2-3-4-16-11-6-10(14-7-15)9(13)5-8(11)12/h5-6H,2-4H2,1H3