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

Systemtic Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-[(4-bromophenyl)methylthio]-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-[(4-bromobenzyl)thio]-4-phenethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C29H33BrN4OS MolecularWeight: 565.56752

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4CCC5=CC=CC=C5)SCC6=CC=C(C=C6)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4CCC5=CC=CC=C5)SCC6=CC=C(C=C6)Br

InChI

InChI=1S/C29H33BrN4OS/c30-25-8-6-21(7-9-25)19-36-28-33-32-26(34(28)11-10-20-4-2-1-3-5-20)18-31-27(35)29-15-22-12-23(16-29)14-24(13-22)17-29/h1-9,22-24H,10-19H2,(H,31,35)