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

Systemtic Name: N-(2-bromanyl-4,5-dimethyl-phenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4,5-dimethyl-phenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4,5-dimethylphenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4,5-dimethylphenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4,5-dimethyl-phenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C(=C2)C)C)Br)COC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C(=C2)C)C)Br)COC3=CC=CC=C3

InChI

InChI=1S/C21H23BrN4O2S/c1-4-26-19(12-28-16-8-6-5-7-9-16)24-25-21(26)29-13-20(27)23-18-11-15(3)14(2)10-17(18)22/h5-11H,4,12-13H2,1-3H3,(H,23,27)