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

Systemtic Name: 2-[[2-(4-bromophenyl)carbonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[2-(4-bromobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[[2-[(4-bromophenyl)-oxomethyl]-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[[2-(4-bromobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-(4-bromobenzoyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)acetamide Formula: C24H19BrN4O2S MolecularWeight: 507.40226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=NN2C(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=NN2C(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C24H19BrN4O2S/c1-16-7-13-20(14-8-16)26-21(30)15-32-24-27-22(17-5-3-2-4-6-17)28-29(24)23(31)18-9-11-19(25)12-10-18/h2-14H,15H2,1H3,(H,26,30)