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

Systemtic Name: N-[[4-butyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-butyl-5-(m-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-butyl-5-[(3-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-butyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-butyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C26H36N4OS MolecularWeight: 452.65524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4OS/c1-3-4-8-30-23(28-29-25(30)32-17-19-7-5-6-18(2)9-19)16-27-24(31)26-13-20-10-21(14-26)12-22(11-20)15-26/h5-7,9,20-22H,3-4,8,10-17H2,1-2H3,(H,27,31)