1-(1-adamantyl)-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C26H28N4OS MolecularWeight: 444.59172

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=C(N4CC5=CC=CC=C5)C6=CN=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN=C(N4CC5=CC=CC=C5)C6=CN=CC=C6

InChI

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