1-(3,4-dimethylphenyl)-5-thiophen-2-yl-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-(3,4-dimethylphenyl)-5-thiophen-2-yl-1,2,3-triazole-4-carboxylate Openeye Name: 1-(3,4-dimethylphenyl)-5-(2-thienyl)triazole-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)-5-thiophen-2-yl-4-triazolecarboxylate IUPAC Name: 1-(3,4-dimethylphenyl)-5-thiophen-2-yltriazole-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)-5-(2-thienyl)triazole-4-carboxylate Formula: C15H12N3O2S- MolecularWeight: 298.33968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)[O-])C3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)[O-])C3=CC=CS3)C

InChI

InChI=1S/C15H13N3O2S/c1-9-5-6-11(8-10(9)2)18-14(12-4-3-7-21-12)13(15(19)20)16-17-18/h3-8H,1-2H3,(H,19,20)/p-1