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

Systemtic Name: 1-(1-adamantyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H24N4OS MolecularWeight: 368.49576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5=CN=CC=C5

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C23CC4CC(C2)CC(C4)C3)C5=CN=CC=C5

InChI

InChI=1S/C20H24N4OS/c1-24-18(16-3-2-4-21-11-16)22-23-19(24)26-12-17(25)20-8-13-5-14(9-20)7-15(6-13)10-20/h2-4,11,13-15H,5-10,12H2,1H3