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

Systemtic Name: N-[4-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)phenyl]-4-fluoranyl-benzamide Openeye Name: N-[4-[3-ethoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]phenyl]-4-fluoro-benzamide CAS Name: N-[4-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)phenyl]-4-fluorobenzamide IUPAC Name: N-[4-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)phenyl]-4-fluorobenzamide Traditional Name: N-[4-[3-ethoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]phenyl]-4-fluoro-benzamide Formula: C21H17FN4O2S MolecularWeight: 408.448683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC=CS2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC=CS2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H17FN4O2S/c1-2-28-21-24-19(18-4-3-13-29-18)26(25-21)17-11-9-16(10-12-17)23-20(27)14-5-7-15(22)8-6-14/h3-13H,2H2,1H3,(H,23,27)