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

Systemtic Name: N-[[5-butan-2-ylsulfanyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[(4-benzyl-5-sec-butylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide CAS Name: N-[[5-(butan-2-ylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-benzyl-5-butan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide Traditional Name: N-[[4-benzyl-5-(sec-butylthio)-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:

CCC(C)SC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC(C)SC1=NN=C(N1CC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N4OS/c1-3-17(2)31-24-28-27-22(29(24)16-18-7-5-4-6-8-18)15-26-23(30)25-12-19-9-20(13-25)11-21(10-19)14-25/h4-8,17,19-21H,3,9-16H2,1-2H3,(H,26,30)