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

Systemtic Name: N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-fluoranyl-benzamide Openeye Name: N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-fluoro-benzamide CAS Name: N-[[5-(ethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide IUPAC Name: N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-3-fluorobenzamide Traditional Name: N-[[5-(ethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide Formula: C18H17FN4OS MolecularWeight: 356.417183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C18H17FN4OS/c1-2-25-18-22-21-16(23(18)15-9-4-3-5-10-15)12-20-17(24)13-7-6-8-14(19)11-13/h3-11H,2,12H2,1H3,(H,20,24)