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

Systemtic Name: N-(1-adamantyl)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=NC=C5

Isomeric SMILES

COCCN1C(=NN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=NC=C5

InChI

InChI=1S/C22H29N5O2S/c1-29-7-6-27-20(18-2-4-23-5-3-18)25-26-21(27)30-14-19(28)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h2-5,15-17H,6-14H2,1H3,(H,24,28)