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

Systemtic Name: N-[[4-(phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[(4-benzyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide CAS Name: N-[[4-(phenylmethyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-benzyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Traditional Name: N-[[4-benzyl-5-(benzylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C28H32N4OS MolecularWeight: 472.64488

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4CC5=CC=CC=C5)SCC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4CC5=CC=CC=C5)SCC6=CC=CC=C6

InChI

InChI=1S/C28H32N4OS/c33-26(28-14-22-11-23(15-28)13-24(12-22)16-28)29-17-25-30-31-27(34-19-21-9-5-2-6-10-21)32(25)18-20-7-3-1-4-8-20/h1-10,22-24H,11-19H2,(H,29,33)