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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)C)Br)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)C)Br)CC3=CC=CC=C3

InChI

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