N-[[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-(butylthio)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-butylsulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(butylthio)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C24H31FN4OS MolecularWeight: 442.592543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31FN4OS/c1-2-3-8-31-23-28-27-21(29(23)20-6-4-19(25)5-7-20)15-26-22(30)24-12-16-9-17(13-24)11-18(10-16)14-24/h4-7,16-18H,2-3,8-15H2,1H3,(H,26,30)