4-isothiocyanato-3-(trifluoromethyloxy)benzenecarbonitrile

Systemtic Name: 4-isothiocyanato-3-(trifluoromethyloxy)benzenecarbonitrile Openeye Name: 4-isothiocyanato-3-(trifluoromethoxy)benzonitrile CAS Name: 4-isothiocyanato-3-(trifluoromethoxy)benzonitrile IUPAC Name: 4-isothiocyanato-3-(trifluoromethoxy)benzonitrile Traditional Name: 4-isothiocyanato-3-(trifluoromethoxy)benzonitrile Formula: C9H3F3N2OS MolecularWeight: 244.19313

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)OC(F)(F)F)N=C=S

Isomeric SMILES

C1=CC(=C(C=C1C#N)OC(F)(F)F)N=C=S

InChI

InChI=1S/C9H3F3N2OS/c10-9(11,12)15-8-3-6(4-13)1-2-7(8)14-5-16/h1-3H