N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-methyl-butanamide

Systemtic Name: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-methyl-butanamide Openeye Name: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3-methyl-butanamide CAS Name: N-[[5-[(4-fluorophenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-methylbutanamide IUPAC Name: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-methylbutanamide Traditional Name: N-[[5-[(4-fluorobenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3-methyl-butyramide Formula: C22H25FN4OS MolecularWeight: 412.523503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)F)CNC(=O)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)F)CNC(=O)CC(C)C

InChI

InChI=1S/C22H25FN4OS/c1-15(2)12-21(28)24-13-20-25-26-22(27(20)19-10-4-16(3)5-11-19)29-14-17-6-8-18(23)9-7-17/h4-11,15H,12-14H2,1-3H3,(H,24,28)