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

Systemtic Name: N-[[4-(2-ethyl-6-methyl-phenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-(2-ethyl-6-methyl-phenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-(2-ethyl-6-methylphenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(2-ethyl-6-methylphenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Traditional Name: N-[[4-(2-ethyl-6-methyl-phenyl)-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide Formula: C25H34N4OS MolecularWeight: 438.62866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N2C(=NN=C2SCC)CNC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCC1=CC=CC(=C1N2C(=NN=C2SCC)CNC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C25H34N4OS/c1-4-20-8-6-7-16(3)22(20)29-21(27-28-24(29)31-5-2)15-26-23(30)25-12-17-9-18(13-25)11-19(10-17)14-25/h6-8,17-19H,4-5,9-15H2,1-3H3,(H,26,30)