1-(2,4-dichlorophenyl)-5-(phenylsulfanylmethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-(2,4-dichlorophenyl)-5-(phenylsulfanylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: 1-(2,4-dichlorophenyl)-5-(phenylsulfanylmethyl)triazole-4-carboxylate CAS Name: 1-(2,4-dichlorophenyl)-5-[(phenylthio)methyl]-4-triazolecarboxylate IUPAC Name: 1-(2,4-dichlorophenyl)-5-(phenylsulfanylmethyl)triazole-4-carboxylate Traditional Name: 1-(2,4-dichlorophenyl)-5-[(phenylthio)methyl]triazole-4-carboxylate Formula: C16H10Cl2N3O2S- MolecularWeight: 379.2405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=C(N=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC2=C(N=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C16H11Cl2N3O2S/c17-10-6-7-13(12(18)8-10)21-14(15(16(22)23)19-20-21)9-24-11-4-2-1-3-5-11/h1-8H,9H2,(H,22,23)/p-1