N-(4-bromanyl-3-methyl-phenyl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Br)C)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Br)C)C3=CC=CC=C3C

InChI

InChI=1S/C20H21BrN4OS/c1-4-25-19(16-8-6-5-7-13(16)2)23-24-20(25)27-12-18(26)22-15-9-10-17(21)14(3)11-15/h5-11H,4,12H2,1-3H3,(H,22,26)