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

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[[5-(4-ethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-bromo-2-pyridyl)acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[[5-(4-ethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[[5-(4-ethoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-p-phenetyl-1,2,4-triazol-3-yl)thio]-N-(5-bromo-2-pyridyl)acetamide Formula: C20H20BrN5O2S MolecularWeight: 474.3741

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN5O2S/c1-3-11-26-19(14-5-8-16(9-6-14)28-4-2)24-25-20(26)29-13-18(27)23-17-10-7-15(21)12-22-17/h3,5-10,12H,1,4,11,13H2,2H3,(H,22,23,27)