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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[[4-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[(4-p-cumenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=CN2C3=CC=C(C=C3)C(C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=CN2C3=CC=C(C=C3)C(C)C)Br

InChI

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