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

Systemtic Name: N-[[4-butyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[(5-benzylsulfanyl-4-butyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide CAS Name: N-[[4-butyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[(5-benzylsulfanyl-4-butyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(benzylthio)-4-butyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C25H34N4OS MolecularWeight: 438.62866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4OS/c1-2-3-9-29-22(27-28-24(29)31-17-18-7-5-4-6-8-18)16-26-23(30)25-13-19-10-20(14-25)12-21(11-19)15-25/h4-8,19-21H,2-3,9-17H2,1H3,(H,26,30)