N-[3-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[3-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide Openeye Name: N-[3-[3-methoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide CAS Name: N-[3-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[3-(3-methoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide Traditional Name: N-[3-[3-methoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide Formula: C21H15F3N4O2S MolecularWeight: 444.42961

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C(=N1)C2=CC=CS2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

COC1=NN(C(=N1)C2=CC=CS2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H15F3N4O2S/c1-30-20-26-18(17-6-3-11-31-17)28(27-20)16-5-2-4-15(12-16)25-19(29)13-7-9-14(10-8-13)21(22,23)24/h2-12H,1H3,(H,25,29)