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

Systemtic Name: N-(4-bromanyl-2-propan-2-yl-phenyl)-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromo-2-isopropyl-phenyl)-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromo-2-propan-2-ylphenyl)-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-propan-2-ylphenyl)-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromo-2-isopropyl-phenyl)-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H25BrN4O2S MolecularWeight: 489.4285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3)Br)C(C)C

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3)Br)C(C)C

InChI

InChI=1S/C22H25BrN4O2S/c1-14(2)17-11-16(23)9-10-18(17)24-21(28)13-30-22-26-25-20(27(22)4)12-29-19-8-6-5-7-15(19)3/h5-11,14H,12-13H2,1-4H3,(H,24,28)