N-(4-bromanyl-3-methyl-phenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C)SCC(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C)SCC(=O)NC3=CC(=C(C=C3)Br)C

InChI

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