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

Systemtic Name: N-[[4-cyclohexyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-cyclohexyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-cyclohexyl-5-[(3-fluorophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-cyclohexyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-cyclohexyl-5-[(3-fluorobenzyl)thio]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C27H35FN4OS MolecularWeight: 482.656403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35FN4OS/c28-22-6-4-5-18(12-22)17-34-26-31-30-24(32(26)23-7-2-1-3-8-23)16-29-25(33)27-13-19-9-20(14-27)11-21(10-19)15-27/h4-6,12,19-21,23H,1-3,7-11,13-17H2,(H,29,33)