N-(1-adamantyl)-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H28N4OS MolecularWeight: 396.54892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C22H28N4OS/c1-14-5-3-4-6-19(14)26-15(2)24-25-21(26)28-13-20(27)23-22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,16-18H,7-13H2,1-2H3,(H,23,27)