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

Systemtic Name: N-[[4-cyclohexyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[(5-benzylsulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide CAS Name: N-[[4-cyclohexyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[(5-benzylsulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(benzylthio)-4-cyclohexyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C27H36N4OS MolecularWeight: 464.66594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=CC=C3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H36N4OS/c32-25(27-14-20-11-21(15-27)13-22(12-20)16-27)28-17-24-29-30-26(31(24)23-9-5-2-6-10-23)33-18-19-7-3-1-4-8-19/h1,3-4,7-8,20-23H,2,5-6,9-18H2,(H,28,32)