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

Systemtic Name: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3,3-dimethyl-butanamide Openeye Name: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3,3-dimethyl-butanamide CAS Name: N-[[5-[(4-fluorophenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3,3-dimethylbutanamide IUPAC Name: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3,3-dimethylbutanamide Traditional Name: N-[[5-[(4-fluorobenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-3,3-dimethyl-butyramide Formula: C23H27FN4OS MolecularWeight: 426.550083

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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27FN4OS/c1-16-5-11-19(12-6-16)28-20(14-25-21(29)13-23(2,3)4)26-27-22(28)30-15-17-7-9-18(24)10-8-17/h5-12H,13-15H2,1-4H3,(H,25,29)