4-(4-bromophenyl)-5-[[(4-nitrophenyl)carbonylamino]methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-bromophenyl)-5-[[(4-nitrophenyl)carbonylamino]methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-bromophenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(4-bromophenyl)-5-[[[(4-nitrophenyl)-oxomethyl]amino]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-bromophenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-bromophenyl)-5-[[(4-nitrobenzoyl)amino]methyl]-1,2,4-triazole-3-thiolate Formula: C16H11BrN5O3S- MolecularWeight: 433.25924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)Br)[S-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC2=NN=C(N2C3=CC=C(C=C3)Br)[S-])[N+](=O)[O-]

InChI

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