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

Systemtic Name: 1-(1-adamantyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)C6=CN=CC=C6

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)C6=CN=CC=C6

InChI

InChI=1S/C22H26N4OS/c27-19(22-9-14-6-15(10-22)8-16(7-14)11-22)13-28-21-25-24-20(26(21)18-3-4-18)17-2-1-5-23-12-17/h1-2,5,12,14-16,18H,3-4,6-11,13H2