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

Systemtic Name: N-[[5-butan-2-ylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(4-ethoxyphenyl)-5-sec-butylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-(butan-2-ylthio)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-butan-2-ylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-p-phenetyl-5-(sec-butylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C26H36N4O2S MolecularWeight: 468.65464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1C2=CC=C(C=C2)OCC)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC(C)SC1=NN=C(N1C2=CC=C(C=C2)OCC)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H36N4O2S/c1-4-17(3)33-25-29-28-23(30(25)21-6-8-22(9-7-21)32-5-2)16-27-24(31)26-13-18-10-19(14-26)12-20(11-18)15-26/h6-9,17-20H,4-5,10-16H2,1-3H3,(H,27,31)