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

Systemtic Name: N-(1-adamantyl)-2-[[5-(1-benzofuran-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[5-(benzofuran-2-yl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[5-(2-benzofuranyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[5-(1-benzofuran-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[5-(benzofuran-2-yl)-4-isopropyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H30N4O2S MolecularWeight: 450.5963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC6=CC=CC=C6O5

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C25H30N4O2S/c1-15(2)29-23(21-10-19-5-3-4-6-20(19)31-21)27-28-24(29)32-14-22(30)26-25-11-16-7-17(12-25)9-18(8-16)13-25/h3-6,10,15-18H,7-9,11-14H2,1-2H3,(H,26,30)