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

Systemtic Name: 2-[[4-(3-ethoxypropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[4-(3-ethoxypropyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[[4-(3-ethoxypropyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[[4-(3-ethoxypropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[4-(3-ethoxypropyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C)C3=CN=CC=C3

Isomeric SMILES

CCOCCCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C)C3=CN=CC=C3

InChI

InChI=1S/C21H25N5O2S/c1-3-28-13-5-12-26-20(17-6-4-11-22-14-17)24-25-21(26)29-15-19(27)23-18-9-7-16(2)8-10-18/h4,6-11,14H,3,5,12-13,15H2,1-2H3,(H,23,27)