4-(pyridin-3-ylmethylamino)-2-(trifluoromethyl)benzenecarbothioamide

Systemtic Name: 4-(pyridin-3-ylmethylamino)-2-(trifluoromethyl)benzenecarbothioamide Openeye Name: 4-(3-pyridylmethylamino)-2-(trifluoromethyl)benzenecarbothioamide CAS Name: 4-(3-pyridinylmethylamino)-2-(trifluoromethyl)benzenecarbothioamide IUPAC Name: 4-(pyridin-3-ylmethylamino)-2-(trifluoromethyl)benzenecarbothioamide Traditional Name: 4-(3-pyridylmethylamino)-2-(trifluoromethyl)thiobenzamide Formula: C14H12F3N3S MolecularWeight: 311.32539

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=CC(=C(C=C2)C(=S)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CN=C1)CNC2=CC(=C(C=C2)C(=S)N)C(F)(F)F

InChI

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