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

Systemtic Name: 2-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-(1-adamantyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C21H26N4OS MolecularWeight: 382.52234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H26N4OS/c1-25-19(21-10-14-7-15(11-21)9-16(8-14)12-21)23-24-20(25)27-13-18(26)22-17-5-3-2-4-6-17/h2-6,14-16H,7-13H2,1H3,(H,22,26)