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

Systemtic Name: N-[[4-butyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-butyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-butyl-5-(1-phenylethylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-butyl-5-(1-phenylethylsulfanyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-butyl-5-(1-phenylethylthio)-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=C1SC(C)C2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCN1C(=NN=C1SC(C)C2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

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