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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C22H16BrN5O3S MolecularWeight: 510.36314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H16BrN5O3S/c23-16-8-6-15(7-9-16)21-25-26-22(27(21)18-4-2-1-3-5-18)32-14-20(29)24-17-10-12-19(13-11-17)28(30)31/h1-13H,14H2,(H,24,29)