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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCSC1=NN=C(N1C2=CC=C(C=C2)Br)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

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