N'-[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]adamantane-1-carbohydrazide

Systemtic Name: N'-[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]adamantane-1-carbohydrazide Openeye Name: N'-[2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]adamantane-1-carbohydrazide CAS Name: N'-[1-oxo-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]-1-adamantanecarbohydrazide IUPAC Name: N'-[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]adamantane-1-carbohydrazide Traditional Name: N'-[2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]adamantane-1-carbohydrazide Formula: C26H28N6O2S MolecularWeight: 488.60452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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