2-bromanyl-N-[[5-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 2-bromanyl-N-[[5-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[2-(2-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-bromo-benzamide CAS Name: 2-bromo-N-[[5-[2-(2-methoxyphenoxy)ethylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-bromo-N-[[5-[2-(2-methoxyphenoxy)ethylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[2-(2-methoxyphenoxy)ethylthio]-1,2,4-triazol-3-yl]methyl]-2-bromo-benzamide Formula: C22H23BrN4O3S MolecularWeight: 503.41202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3Br

Isomeric SMILES

COC1=CC=CC=C1OCCSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H23BrN4O3S/c1-3-12-27-20(15-24-21(28)16-8-4-5-9-17(16)23)25-26-22(27)31-14-13-30-19-11-7-6-10-18(19)29-2/h3-11H,1,12-15H2,2H3,(H,24,28)