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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC=CO5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC=CO5

InChI

InChI=1S/C21H28N4O2S/c1-2-25-19(17-4-3-5-27-17)23-24-20(25)28-12-18(26)22-13-21-9-14-6-15(10-21)8-16(7-14)11-21/h3-5,14-16H,2,6-13H2,1H3,(H,22,26)