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

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

CCCSC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCSC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N4OS/c1-2-10-31-24-28-27-22(29(24)9-8-18-6-4-3-5-7-18)17-26-23(30)25-14-19-11-20(15-25)13-21(12-19)16-25/h3-7,19-21H,2,8-17H2,1H3,(H,26,30)