1-[bis(fluoranyl)-isothiocyanato-methyl]-4-tert-butyl-benzene

Systemtic Name: 1-[bis(fluoranyl)-isothiocyanato-methyl]-4-tert-butyl-benzene Openeye Name: 1-tert-butyl-4-[difluoro(isothiocyanato)methyl]benzene CAS Name: 1-tert-butyl-4-[difluoro(isothiocyanato)methyl]benzene IUPAC Name: 1-tert-butyl-4-[difluoro(isothiocyanato)methyl]benzene Traditional Name: 1-tert-butyl-4-[difluoro(isothiocyanato)methyl]benzene Formula: C12H13F2NS MolecularWeight: 241.300126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2NS/c1-11(2,3)9-4-6-10(7-5-9)12(13,14)15-8-16/h4-7H,1-3H3