N-[[5-butylsulfanyl-4-(2-ethyl-6-methyl-phenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[5-butylsulfanyl-4-(2-ethyl-6-methyl-phenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[5-butylsulfanyl-4-(2-ethyl-6-methyl-phenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[5-(butylthio)-4-(2-ethyl-6-methylphenyl)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[5-butylsulfanyl-4-(2-ethyl-6-methylphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[5-(butylthio)-4-(2-ethyl-6-methyl-phenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C27H38N4OS MolecularWeight: 466.68182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=C(C=CC=C2CC)C)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCSC1=NN=C(N1C2=C(C=CC=C2CC)C)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H38N4OS/c1-4-6-10-33-26-30-29-23(31(26)24-18(3)8-7-9-22(24)5-2)17-28-25(32)27-14-19-11-20(15-27)13-21(12-19)16-27/h7-9,19-21H,4-6,10-17H2,1-3H3,(H,28,32)