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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H28N6O2S MolecularWeight: 488.60452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N6O2S/c33-22(28-24(34)29-26-13-17-10-18(14-26)12-19(11-17)15-26)16-35-25-31-30-23(20-6-8-27-9-7-20)32(25)21-4-2-1-3-5-21/h1-9,17-19H,10-16H2,(H2,28,29,33,34)