4-[[4-(2-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide

Systemtic Name: 4-[[4-(2-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-(2-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[4-(2-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: 4-[[4-(2-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[4-(2-fluorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C21H16FN5OS MolecularWeight: 405.448043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)N)C4=CC=NC=C4)F

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)N)C4=CC=NC=C4)F

InChI

InChI=1S/C21H16FN5OS/c22-17-3-1-2-4-18(17)27-20(16-9-11-24-12-10-16)25-26-21(27)29-13-14-5-7-15(8-6-14)19(23)28/h1-12H,13H2,(H2,23,28)