2-[[4-(2-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[[4-(2-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[[4-(2-ethoxyphenyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(2-ethoxyphenyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-enylacetamide IUPAC Name: 2-[[4-(2-ethoxyphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[[4-o-phenetyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NN=C2SCC(=O)NCC=C)C3=CC=CC=N3

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NN=C2SCC(=O)NCC=C)C3=CC=CC=N3

InChI

InChI=1S/C20H21N5O2S/c1-3-12-22-18(26)14-28-20-24-23-19(15-9-7-8-13-21-15)25(20)16-10-5-6-11-17(16)27-4-2/h3,5-11,13H,1,4,12,14H2,2H3,(H,22,26)