N-[[4-(2,6-diethylphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(2,6-diethylphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(2,6-diethylphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(2,6-diethylphenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(2,6-diethylphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-(2,6-diethylphenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C26H36N4OS MolecularWeight: 452.65524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H36N4OS/c1-4-20-8-7-9-21(5-2)23(20)30-22(28-29-25(30)32-6-3)16-27-24(31)26-13-17-10-18(14-26)12-19(11-17)15-26/h7-9,17-19H,4-6,10-16H2,1-3H3,(H,27,31)