4-(2,5-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2,5-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,5-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2,5-dimethylphenyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,5-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,5-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiolate Formula: C15H13N4S- MolecularWeight: 281.35552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4S/c1-10-5-6-11(2)13(8-10)19-14(17-18-15(19)20)12-4-3-7-16-9-12/h3-9H,1-2H3,(H,18,20)/p-1