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

Systemtic Name: N-[[4-cyclohexyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-cyclohexyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-cyclohexyl-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-cyclohexyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-cyclohexyl-5-[(3-methylbenzyl)thio]-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:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3CCCCC3)CNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3CCCCC3)CNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H38N4OS/c1-19-6-5-7-20(10-19)18-34-27-31-30-25(32(27)24-8-3-2-4-9-24)17-29-26(33)28-14-21-11-22(15-28)13-23(12-21)16-28/h5-7,10,21-24H,2-4,8-9,11-18H2,1H3,(H,29,33)