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

Systemtic Name: N-[[5-butylsulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-fluoranyl-benzamide Openeye Name: N-[[5-butylsulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide CAS Name: N-[[5-(butylthio)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide IUPAC Name: N-[[5-butylsulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-fluorobenzamide Traditional Name: N-[[5-(butylthio)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-fluoro-benzamide Formula: C21H23FN4O2S MolecularWeight: 414.496323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=CC=C2OC)CNC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=CC=C2OC)CNC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H23FN4O2S/c1-3-4-12-29-21-25-24-19(26(21)17-10-5-6-11-18(17)28-2)14-23-20(27)15-8-7-9-16(22)13-15/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,27)