2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

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