3-(4-fluorophenyl)-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one

Systemtic Name: 3-(4-fluorophenyl)-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one Openeye Name: 3-(4-fluorophenyl)-1-[3-phenyl-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one CAS Name: 3-(4-fluorophenyl)-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-2-propen-1-one IUPAC Name: 3-(4-fluorophenyl)-1-[3-phenyl-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one Traditional Name: 3-(4-fluorophenyl)-1-[3-phenyl-5-(2-thenylamino)-1,2,4-triazol-1-yl]prop-2-en-1-one Formula: C22H17FN4OS MolecularWeight: 404.459983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)C=CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)C=CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN4OS/c23-18-11-8-16(9-12-18)10-13-20(28)27-22(24-15-19-7-4-14-29-19)25-21(26-27)17-5-2-1-3-6-17/h1-14H,15H2,(H,24,25,26)