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

Systemtic Name: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-[(4-fluorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-[(4-fluorobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C27H29FN4OS MolecularWeight: 476.608763

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4C5=CC=CC=C5)SCC6=CC=C(C=C6)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4C5=CC=CC=C5)SCC6=CC=C(C=C6)F

InChI

InChI=1S/C27H29FN4OS/c28-22-8-6-18(7-9-22)17-34-26-31-30-24(32(26)23-4-2-1-3-5-23)16-29-25(33)27-13-19-10-20(14-27)12-21(11-19)15-27/h1-9,19-21H,10-17H2,(H,29,33)