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

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[[5-(4-butoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(4-butoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-bromo-2-pyridyl)acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[[5-(4-butoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[[5-(4-butoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(4-butoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(5-bromo-2-pyridyl)acetamide Formula: C22H24BrN5O2S MolecularWeight: 502.42726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=NC=C(C=C3)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=NC=C(C=C3)Br

InChI

InChI=1S/C22H24BrN5O2S/c1-3-5-13-30-18-9-6-16(7-10-18)21-26-27-22(28(21)12-4-2)31-15-20(29)25-19-11-8-17(23)14-24-19/h4,6-11,14H,2-3,5,12-13,15H2,1H3,(H,24,25,29)