3-[(3-azanylpyridin-4-yl)methylamino]-N-[4-(trifluoromethyloxy)phenyl]thiophene-2-carboxamide

Systemtic Name: 3-[(3-azanylpyridin-4-yl)methylamino]-N-[4-(trifluoromethyloxy)phenyl]thiophene-2-carboxamide Openeye Name: 3-[(3-amino-4-pyridyl)methylamino]-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide CAS Name: 3-[(3-amino-4-pyridinyl)methylamino]-N-[4-(trifluoromethoxy)phenyl]-2-thiophenecarboxamide IUPAC Name: 3-[(3-aminopyridin-4-yl)methylamino]-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide Traditional Name: 3-[(3-amino-4-pyridyl)methylamino]-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide Formula: C18H15F3N4O2S MolecularWeight: 408.39751

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=C(C=CS2)NCC3=C(C=NC=C3)N)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=C(C=CS2)NCC3=C(C=NC=C3)N)OC(F)(F)F

InChI

InChI=1S/C18H15F3N4O2S/c19-18(20,21)27-13-3-1-12(2-4-13)25-17(26)16-15(6-8-28-16)24-9-11-5-7-23-10-14(11)22/h1-8,10,24H,9,22H2,(H,25,26)