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

Systemtic Name: N-(1-adamantyl)-2-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H27BrN4OS MolecularWeight: 475.44498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)Br

InChI

InChI=1S/C22H27BrN4OS/c1-2-27-20(17-4-3-5-18(23)9-17)25-26-21(27)29-13-19(28)24-22-10-14-6-15(11-22)8-16(7-14)12-22/h3-5,9,14-16H,2,6-8,10-13H2,1H3,(H,24,28)