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

Systemtic Name: 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C20H18N4S MolecularWeight: 346.44872

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=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4S/c1-14-8-9-15(2)23(14)18-12-10-16(11-13-18)19-21-22-20(25)24(19)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,22,25)