N-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-[(4-bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-[(4-bromobenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C23H29BrN4OS MolecularWeight: 489.47156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29BrN4OS/c1-2-28-20(26-27-22(28)30-14-15-3-5-19(24)6-4-15)13-25-21(29)23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,16-18H,2,7-14H2,1H3,(H,25,29)