2-(pyridin-4-ylmethylamino)-5-(trifluoromethyl)benzenecarbothioamide

Systemtic Name: 2-(pyridin-4-ylmethylamino)-5-(trifluoromethyl)benzenecarbothioamide Openeye Name: 2-(4-pyridylmethylamino)-5-(trifluoromethyl)benzenecarbothioamide CAS Name: 2-(pyridin-4-ylmethylamino)-5-(trifluoromethyl)benzenecarbothioamide IUPAC Name: 2-(pyridin-4-ylmethylamino)-5-(trifluoromethyl)benzenecarbothioamide Traditional Name: 2-(4-pyridylmethylamino)-5-(trifluoromethyl)thiobenzamide Formula: C14H12F3N3S MolecularWeight: 311.32539

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)C(=S)N)NCC2=CC=NC=C2

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)C(=S)N)NCC2=CC=NC=C2

InChI

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