N-[[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)ethanamide

Systemtic Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[[5-[(4-bromophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[[5-[(4-bromobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21BrN4O2S/c1-25-18(12-22-19(26)11-14-5-9-17(27-2)10-6-14)23-24-20(25)28-13-15-3-7-16(21)8-4-15/h3-10H,11-13H2,1-2H3,(H,22,26)