1-[4-isothiocyanato-2-(trifluoromethyl)phenyl]pyrrolidine

Systemtic Name: 1-[4-isothiocyanato-2-(trifluoromethyl)phenyl]pyrrolidine Openeye Name: 1-[4-isothiocyanato-2-(trifluoromethyl)phenyl]pyrrolidine CAS Name: 1-[4-isothiocyanato-2-(trifluoromethyl)phenyl]pyrrolidine IUPAC Name: 1-[4-isothiocyanato-2-(trifluoromethyl)phenyl]pyrrolidine Traditional Name: 1-[4-isothiocyanato-2-(trifluoromethyl)phenyl]pyrrolidine Formula: C12H11F3N2S MolecularWeight: 272.28935

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)N=C=S)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)N=C=S)C(F)(F)F

InChI

InChI=1S/C12H11F3N2S/c13-12(14,15)10-7-9(16-8-18)3-4-11(10)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2