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

Systemtic Name: N-(1-adamantyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H23N5OS MolecularWeight: 369.48382

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NNC(=N4)C5=CC=NC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NNC(=N4)C5=CC=NC=C5

InChI

InChI=1S/C19H23N5OS/c25-16(22-19-8-12-5-13(9-19)7-14(6-12)10-19)11-26-18-21-17(23-24-18)15-1-3-20-4-2-15/h1-4,12-14H,5-11H2,(H,22,25)(H,21,23,24)