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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4OS/c27-19(22-10-14-7-15(11-22)9-16(8-14)12-22)13-28-21-25-24-20(26(21)18-1-2-18)17-3-5-23-6-4-17/h3-6,14-16,18H,1-2,7-13H2