2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbothioamide

Systemtic Name: 2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbothioamide Openeye Name: 2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbothioamide CAS Name: 2-[[3-(trifluoromethyl)phenyl]methylamino]-3-pyridinecarbothioamide IUPAC Name: 2-[[3-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbothioamide Traditional Name: 2-[[3-(trifluoromethyl)benzyl]amino]thionicotinamide Formula: C14H12F3N3S MolecularWeight: 311.32539

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CNC2=C(C=CC=N2)C(=S)N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CNC2=C(C=CC=N2)C(=S)N

InChI

InChI=1S/C14H12F3N3S/c15-14(16,17)10-4-1-3-9(7-10)8-20-13-11(12(18)21)5-2-6-19-13/h1-7H,8H2,(H2,18,21)(H,19,20)