5-phenyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-phenyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-phenyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-phenyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-phenyl-4-(2,4,6-trimethylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-mesityl-5-phenyl-1,2,4-triazole-3-thiolate Formula: C17H16N3S- MolecularWeight: 294.39404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3S/c1-11-9-12(2)15(13(3)10-11)20-16(18-19-17(20)21)14-7-5-4-6-8-14/h4-10H,1-3H3,(H,19,21)/p-1