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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(4-amyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H31N5O2S MolecularWeight: 405.55744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H31N5O2S/c1-2-3-4-5-25-13-21-24-19(25)28-12-17(26)22-18(27)23-20-9-14-6-15(10-20)8-16(7-14)11-20/h13-16H,2-12H2,1H3,(H2,22,23,26,27)