5-fluoranyl-4-isothiocyanato-2-propan-2-yloxy-benzenecarbonitrile

Systemtic Name: 5-fluoranyl-4-isothiocyanato-2-propan-2-yloxy-benzenecarbonitrile Openeye Name: 5-fluoro-2-isopropoxy-4-isothiocyanato-benzonitrile CAS Name: 5-fluoro-4-isothiocyanato-2-propan-2-yloxybenzonitrile IUPAC Name: 5-fluoro-4-isothiocyanato-2-propan-2-yloxybenzonitrile Traditional Name: 5-fluoro-2-isopropoxy-4-isothiocyanato-benzonitrile Formula: C11H9FN2OS MolecularWeight: 236.265363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1C#N)F)N=C=S

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1C#N)F)N=C=S

InChI

InChI=1S/C11H9FN2OS/c1-7(2)15-11-4-10(14-6-16)9(12)3-8(11)5-13/h3-4,7H,1-2H3