N-[2,3-bis[4-(trifluoromethyl)phenyl]propyl]pyridine-4-carbothioamide

Systemtic Name: N-[2,3-bis[4-(trifluoromethyl)phenyl]propyl]pyridine-4-carbothioamide Openeye Name: N-[2,3-bis[4-(trifluoromethyl)phenyl]propyl]pyridine-4-carbothioamide CAS Name: N-[2,3-bis[4-(trifluoromethyl)phenyl]propyl]-4-pyridinecarbothioamide IUPAC Name: N-[2,3-bis[4-(trifluoromethyl)phenyl]propyl]pyridine-4-carbothioamide Traditional Name: N-[2,3-bis[4-(trifluoromethyl)phenyl]propyl]thioisonicotinamide Formula: C23H18F6N2S MolecularWeight: 468.457839

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CNC(=S)C2=CC=NC=C2)C3=CC=C(C=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CC(CNC(=S)C2=CC=NC=C2)C3=CC=C(C=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C23H18F6N2S/c24-22(25,26)19-5-1-15(2-6-19)13-18(14-31-21(32)17-9-11-30-12-10-17)16-3-7-20(8-4-16)23(27,28)29/h1-12,18H,13-14H2,(H,31,32)