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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H27N5O2S2 MolecularWeight: 445.60138

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CS5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CS5

InChI

InChI=1S/C21H27N5O2S2/c1-2-26-18(16-4-3-5-29-16)24-25-20(26)30-12-17(27)22-19(28)23-21-9-13-6-14(10-21)8-15(7-13)11-21/h3-5,13-15H,2,6-12H2,1H3,(H2,22,23,27,28)