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

Systemtic Name: N-(2-bromanyl-4-propan-2-yl-phenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-isopropyl-phenyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-propan-2-ylphenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-propan-2-ylphenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4-isopropyl-phenyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H23BrN4OS MolecularWeight: 459.40252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)C(C)C)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)C(C)C)Br)C

InChI

InChI=1S/C21H23BrN4OS/c1-13(2)16-7-10-19(18(22)11-16)23-20(27)12-28-21-25-24-15(4)26(21)17-8-5-14(3)6-9-17/h5-11,13H,12H2,1-4H3,(H,23,27)