2-[(2-azanylpyridin-4-yl)methylsulfanyl]-N-[4-(trifluoromethyloxy)phenyl]benzamide

Systemtic Name: 2-[(2-azanylpyridin-4-yl)methylsulfanyl]-N-[4-(trifluoromethyloxy)phenyl]benzamide Openeye Name: 2-[(2-amino-4-pyridyl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide CAS Name: 2-[(2-amino-4-pyridinyl)methylthio]-N-[4-(trifluoromethoxy)phenyl]benzamide IUPAC Name: 2-[(2-aminopyridin-4-yl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide Traditional Name: 2-[(2-amino-4-pyridyl)methylthio]-N-[4-(trifluoromethoxy)phenyl]benzamide Formula: C20H16F3N3O2S MolecularWeight: 419.42015

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)OC(F)(F)F)SCC3=CC(=NC=C3)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)OC(F)(F)F)SCC3=CC(=NC=C3)N

InChI

InChI=1S/C20H16F3N3O2S/c21-20(22,23)28-15-7-5-14(6-8-15)26-19(27)16-3-1-2-4-17(16)29-12-13-9-10-25-18(24)11-13/h1-11H,12H2,(H2,24,25)(H,26,27)