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

Systemtic Name: N-(1-adamantyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=NC=C6

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=NC=C6

InChI

InChI=1S/C22H27N5OS/c28-19(24-22-10-14-7-15(11-22)9-16(8-14)12-22)13-29-21-26-25-20(27(21)18-1-2-18)17-3-5-23-6-4-17/h3-6,14-16,18H,1-2,7-13H2,(H,24,28)