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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

COCCCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C21H25N5O2S/c1-28-14-6-13-26-20(18-9-5-11-22-15-18)24-25-21(26)29-16-19(27)23-12-10-17-7-3-2-4-8-17/h2-5,7-9,11,15H,6,10,12-14,16H2,1H3,(H,23,27)