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

Systemtic Name: N-[[4-butyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-butyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-butyl-5-[(3-fluorophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-butyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-butyl-5-[(3-fluorobenzyl)thio]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C25H33FN4OS MolecularWeight: 456.619123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC2=CC(=CC=C2)F)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCN1C(=NN=C1SCC2=CC(=CC=C2)F)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33FN4OS/c1-2-3-7-30-22(28-29-24(30)32-16-17-5-4-6-21(26)11-17)15-27-23(31)25-12-18-8-19(13-25)10-20(9-18)14-25/h4-6,11,18-20H,2-3,7-10,12-16H2,1H3,(H,27,31)