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

Systemtic Name: N-(1-adamantyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C26H28N4OS MolecularWeight: 444.59172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C26H28N4OS/c31-23(27-26-14-18-11-19(15-26)13-20(12-18)16-26)17-32-25-29-28-24(21-7-3-1-4-8-21)30(25)22-9-5-2-6-10-22/h1-10,18-20H,11-17H2,(H,27,31)