4-(4-bromophenyl)-5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-bromophenyl)-5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-bromophenyl)-5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(4-bromophenyl)-5-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-bromophenyl)-5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-bromophenyl)-5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1,2,4-triazole-3-thiolate Formula: C20H16BrN4S- MolecularWeight: 424.33684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C3=NN=C(N3C4=CC=C(C=C4)Br)[S-])C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C3=NN=C(N3C4=CC=C(C=C4)Br)[S-])C

InChI

InChI=1S/C20H17BrN4S/c1-13-3-4-14(2)24(13)17-9-5-15(6-10-17)19-22-23-20(26)25(19)18-11-7-16(21)8-12-18/h3-12H,1-2H3,(H,23,26)/p-1