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

Systemtic Name: N-(2-adamantyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-adamantyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-adamantyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-adamantyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-adamantyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H22N4OS2 MolecularWeight: 374.52348

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=NNC(=N4)C5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=NNC(=N4)C5=CC=CS5

InChI

InChI=1S/C18H22N4OS2/c23-15(9-25-18-20-17(21-22-18)14-2-1-3-24-14)19-16-12-5-10-4-11(7-12)8-13(16)6-10/h1-3,10-13,16H,4-9H2,(H,19,23)(H,20,21,22)