2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-methyl-5-nitro-phenyl)acetamide Formula: C23H18BrN5O3S MolecularWeight: 524.38972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H18BrN5O3S/c1-15-7-12-19(29(31)32)13-20(15)25-21(30)14-33-23-27-26-22(16-8-10-17(24)11-9-16)28(23)18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,25,30)