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

Systemtic Name: N-[[4-(4-bromophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(4-bromophenyl)-5-isopropylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(4-bromophenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(4-bromophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-(4-bromophenyl)-5-(isopropylthio)-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:

CC(C)SC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)SC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

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