1-butyl-3-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethyl]urea

Systemtic Name: 1-butyl-3-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethyl]urea Openeye Name: 1-butyl-3-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]urea CAS Name: 1-butyl-3-[1-[5-[(4-fluorophenyl)methylthio]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethyl]urea IUPAC Name: 1-butyl-3-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethyl]urea Traditional Name: 1-butyl-3-[1-[5-[(4-fluorobenzyl)thio]-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]urea Formula: C23H28FN5OS MolecularWeight: 441.564723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(C)C1=NN=C(N1C2=CC=C(C=C2)C)SCC3=CC=C(C=C3)F

Isomeric SMILES

CCCCNC(=O)NC(C)C1=NN=C(N1C2=CC=C(C=C2)C)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN5OS/c1-4-5-14-25-22(30)26-17(3)21-27-28-23(29(21)20-12-6-16(2)7-13-20)31-15-18-8-10-19(24)11-9-18/h6-13,17H,4-5,14-15H2,1-3H3,(H2,25,26,30)