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

Systemtic Name: 4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl-benzamide Formula: C22H17FN4OS MolecularWeight: 404.459983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NNC(=N3)C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NNC(=N3)C4=CC=CC=C4F

InChI

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