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

Systemtic Name: 1-chloranyl-5-fluoranyl-4-isothiocyanato-2-pentylsulfanyl-benzene Openeye Name: 1-chloro-5-fluoro-4-isothiocyanato-2-pentylsulfanyl-benzene CAS Name: 1-chloro-5-fluoro-4-isothiocyanato-2-(pentylthio)benzene IUPAC Name: 1-chloro-5-fluoro-4-isothiocyanato-2-pentylsulfanylbenzene Traditional Name: 1-(amylthio)-2-chloro-4-fluoro-5-isothiocyanato-benzene Formula: C12H13ClFNS2 MolecularWeight: 289.819723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=C(C(=C1)N=C=S)F)Cl

Isomeric SMILES

CCCCCSC1=C(C=C(C(=C1)N=C=S)F)Cl

InChI

InChI=1S/C12H13ClFNS2/c1-2-3-4-5-17-12-7-11(15-8-16)10(14)6-9(12)13/h6-7H,2-5H2,1H3