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

Systemtic Name: 4-(2,5-dimethylphenyl)-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,5-dimethylphenyl)-5-(5-methylisoxazol-3-yl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2,5-dimethylphenyl)-5-(5-methyl-3-isoxazolyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,5-dimethylphenyl)-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,5-dimethylphenyl)-5-(5-methylisoxazol-3-yl)-1,2,4-triazole-3-thiolate Formula: C14H13N4OS- MolecularWeight: 285.34422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4OS/c1-8-4-5-9(2)12(6-8)18-13(15-16-14(18)20)11-7-10(3)19-17-11/h4-7H,1-3H3,(H,16,20)/p-1