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

Systemtic Name: 2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)C3=CC=NC=C3

Isomeric SMILES

CCOCCCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)OC)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5O3S/c1-3-29-13-5-12-26-20(16-8-10-22-11-9-16)24-25-21(26)30-15-19(27)23-17-6-4-7-18(14-17)28-2/h4,6-11,14H,3,5,12-13,15H2,1-2H3,(H,23,27)