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

Systemtic Name: 2-bromanyl-N-[[5-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 2-bromo-N-[[5-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 2-bromo-N-[[5-[2-(4-methoxyphenoxy)ethylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-bromo-N-[[5-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 2-bromo-N-[[5-[2-(4-methoxyphenoxy)ethylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C20H21BrN4O3S MolecularWeight: 477.37474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC2=CC=C(C=C2)OC)CNC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CN1C(=NN=C1SCCOC2=CC=C(C=C2)OC)CNC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H21BrN4O3S/c1-25-18(13-22-19(26)16-5-3-4-6-17(16)21)23-24-20(25)29-12-11-28-15-9-7-14(27-2)8-10-15/h3-10H,11-13H2,1-2H3,(H,22,26)