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

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C16H12BrN5O3S MolecularWeight: 434.26718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H12BrN5O3S/c17-13-4-2-1-3-12(13)15-19-16(21-20-15)26-9-14(23)18-10-5-7-11(8-6-10)22(24)25/h1-8H,9H2,(H,18,23)(H,19,20,21)