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

Systemtic Name: N-[[4-phenethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[(5-benzylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide CAS Name: N-[[4-phenethyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[(5-benzylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(benzylthio)-4-phenethyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C29H34N4OS MolecularWeight: 486.67146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N4OS/c34-27(29-16-23-13-24(17-29)15-25(14-23)18-29)30-19-26-31-32-28(35-20-22-9-5-2-6-10-22)33(26)12-11-21-7-3-1-4-8-21/h1-10,23-25H,11-20H2,(H,30,34)