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

Systemtic Name: N-[(4-butyl-5-butylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Openeye Name: N-[(4-butyl-5-butylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide CAS Name: N-[[4-butyl-5-(butylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-butyl-5-butylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Traditional Name: N-[[4-butyl-5-(butylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C22H36N4OS MolecularWeight: 404.61244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCCCC)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCN1C(=NN=C1SCCCC)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H36N4OS/c1-3-5-7-26-19(24-25-21(26)28-8-6-4-2)15-23-20(27)22-12-16-9-17(13-22)11-18(10-16)14-22/h16-18H,3-15H2,1-2H3,(H,23,27)