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

Systemtic Name: N-[[4-cyclohexyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-cyclohexyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-cyclohexyl-5-(1-phenylethylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-cyclohexyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-cyclohexyl-5-(1-phenylethylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C28H38N4OS MolecularWeight: 478.69252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NN=C(N2C3CCCCC3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C1=CC=CC=C1)SC2=NN=C(N2C3CCCCC3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H38N4OS/c1-19(23-8-4-2-5-9-23)34-27-31-30-25(32(27)24-10-6-3-7-11-24)18-29-26(33)28-15-20-12-21(16-28)14-22(13-20)17-28/h2,4-5,8-9,19-22,24H,3,6-7,10-18H2,1H3,(H,29,33)