4-(4-bromophenyl)-5-(3-methyl-2-nitro-phenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-bromophenyl)-5-(3-methyl-2-nitro-phenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-bromophenyl)-5-(3-methyl-2-nitro-phenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(4-bromophenyl)-5-(3-methyl-2-nitrophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-bromophenyl)-5-(3-methyl-2-nitrophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-bromophenyl)-5-(3-methyl-2-nitro-phenyl)-1,2,4-triazole-3-thiolate Formula: C15H10BrN4O2S- MolecularWeight: 390.2345

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C2=NN=C(N2C3=CC=C(C=C3)Br)[S-]

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C2=NN=C(N2C3=CC=C(C=C3)Br)[S-]

InChI

InChI=1S/C15H11BrN4O2S/c1-9-3-2-4-12(13(9)20(21)22)14-17-18-15(23)19(14)11-7-5-10(16)6-8-11/h2-8H,1H3,(H,18,23)/p-1