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

Systemtic Name: N-(1-adamantyl)-2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H28N4O2S MolecularWeight: 400.53762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S/c1-3-25-19(17-4-5-27-13(17)2)23-24-20(25)28-12-18(26)22-21-9-14-6-15(10-21)8-16(7-14)11-21/h4-5,14-16H,3,6-12H2,1-2H3,(H,22,26)