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

Systemtic Name: N-(1-adamantyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H24N4OS2 MolecularWeight: 388.55006

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NNC(=N4)CC5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NNC(=N4)CC5=CC=CS5

InChI

InChI=1S/C19H24N4OS2/c24-17(21-19-8-12-4-13(9-19)6-14(5-12)10-19)11-26-18-20-16(22-23-18)7-15-2-1-3-25-15/h1-3,12-14H,4-11H2,(H,21,24)(H,20,22,23)