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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCC2=CC=NC=C2)C(F)(F)F)C(=S)N

Isomeric SMILES

C1=CC(=C(C=C1NCC2=CC=NC=C2)C(F)(F)F)C(=S)N

InChI

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