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

Systemtic Name: 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-(p-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-(4-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-(p-tolyl)-1,2,4-triazole-3-thiolate Formula: C21H19N4S- MolecularWeight: 359.46736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC=C(C=C3)N4C(=CC=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC=C(C=C3)N4C(=CC=C4C)C

InChI

InChI=1S/C21H20N4S/c1-14-4-10-19(11-5-14)25-20(22-23-21(25)26)17-8-12-18(13-9-17)24-15(2)6-7-16(24)3/h4-13H,1-3H3,(H,23,26)/p-1