3-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]carbothioylpiperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]carbothioylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbothioyl]piperazin-1-yl]propanenitrile CAS Name: 3-[4-[sulfanylidene-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]methyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbothioyl]piperazin-1-yl]propanenitrile Traditional Name: 3-[4-[5-[3-(trifluoromethyl)phenyl]furan-2-carbothioyl]piperazino]propionitrile Formula: C19H18F3N3OS MolecularWeight: 393.42593

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C(=S)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCC#N)C(=S)C2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C19H18F3N3OS/c20-19(21,22)15-4-1-3-14(13-15)16-5-6-17(26-16)18(27)25-11-9-24(10-12-25)8-2-7-23/h1,3-6,13H,2,8-12H2