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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)CC5=CC=CS5

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)CC5=CC=CS5

InChI

InChI=1S/C21H27N5O2S2/c1-26-17(8-16-3-2-4-29-16)24-25-20(26)30-12-18(27)22-19(28)23-21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,13-15H,5-12H2,1H3,(H2,22,23,27,28)