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

Systemtic Name: N-[(4-phenethyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Openeye Name: N-[(5-isopropylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide CAS Name: N-[[4-phenethyl-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-phenethyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(isopropylthio)-4-phenethyl-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:

CC(C)SC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)SC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

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