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

Systemtic Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C23H27N5OS MolecularWeight: 421.55838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)CSC4=NNC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CCC#N)C(=O)CSC4=NNC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C23H27N5OS/c24-7-4-8-28(23-12-16-9-17(13-23)11-18(10-16)14-23)20(29)15-30-22-25-21(26-27-22)19-5-2-1-3-6-19/h1-3,5-6,16-18H,4,8-15H2,(H,25,26,27)