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

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

CCCCSC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCSC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H36N4OS/c1-2-3-11-32-25-29-28-23(30(25)10-9-19-7-5-4-6-8-19)18-27-24(31)26-15-20-12-21(16-26)14-22(13-20)17-26/h4-8,20-22H,2-3,9-18H2,1H3,(H,27,31)