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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(N4C5=CC=CC=C5)SCC(=O)NC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(N4C5=CC=CC=C5)SCC(=O)NC6=CC=CC=C6

InChI

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