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

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-bromo-2-pyridyl)acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(5-bromo-2-pyridyl)acetamide Formula: C19H18BrN5O2S MolecularWeight: 460.34752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)Br)COC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)Br)COC3=CC=CC=C3

InChI

InChI=1S/C19H18BrN5O2S/c1-2-10-25-17(12-27-15-6-4-3-5-7-15)23-24-19(25)28-13-18(26)22-16-9-8-14(20)11-21-16/h2-9,11H,1,10,12-13H2,(H,21,22,26)