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

Systemtic Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[5-[(4-bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[5-[(4-bromobenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C20H21BrN4OS/c1-3-25-18(12-22-19(26)16-6-4-5-14(2)11-16)23-24-20(25)27-13-15-7-9-17(21)10-8-15/h4-11H,3,12-13H2,1-2H3,(H,22,26)