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

Systemtic Name: N-(2-adamantyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2-adamantyl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-adamantyl)-2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-adamantyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-adamantyl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2C3CC4CC(C3)CC2C4)C5=CN=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2C3CC4CC(C3)CC2C4)C5=CN=CC=C5

InChI

InChI=1S/C20H25N5OS/c1-25-19(14-3-2-4-21-10-14)23-24-20(25)27-11-17(26)22-18-15-6-12-5-13(8-15)9-16(18)7-12/h2-4,10,12-13,15-16,18H,5-9,11H2,1H3,(H,22,26)