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

Systemtic Name: 2-bromanyl-N-[[4-ethyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 2-bromo-N-[[4-ethyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 2-bromo-N-[[4-ethyl-5-[2-(4-methoxyphenoxy)ethylthio]-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-bromo-N-[[4-ethyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 2-bromo-N-[[4-ethyl-5-[2-(4-methoxyphenoxy)ethylthio]-1,2,4-triazol-3-yl]methyl]benzamide Formula: C21H23BrN4O3S MolecularWeight: 491.40132

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)OC)CNC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)OC)CNC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C21H23BrN4O3S/c1-3-26-19(14-23-20(27)17-6-4-5-7-18(17)22)24-25-21(26)30-13-12-29-16-10-8-15(28-2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,23,27)