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

Systemtic Name: 4-(4-bromophenyl)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-bromophenyl)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-bromophenyl)-3-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-bromophenyl)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-bromophenyl)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-1H-1,2,4-triazole-5-thione Formula: C20H17BrN4S MolecularWeight: 425.34478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C3=NNC(=S)N3C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C3=NNC(=S)N3C4=CC=C(C=C4)Br)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)