1-(2,4-dichlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-(2,4-dichlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-(2,4-dichlorophenyl)-5-(p-tolylsulfanylmethyl)triazole-4-carboxylate CAS Name: 1-(2,4-dichlorophenyl)-5-[[(4-methylphenyl)thio]methyl]-4-triazolecarboxylate IUPAC Name: 1-(2,4-dichlorophenyl)-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxylate Traditional Name: 1-(2,4-dichlorophenyl)-5-[(p-tolylthio)methyl]triazole-4-carboxylate Formula: C17H12Cl2N3O2S- MolecularWeight: 393.26708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=C(N=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=C(N=NN2C3=C(C=C(C=C3)Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C17H13Cl2N3O2S/c1-10-2-5-12(6-3-10)25-9-15-16(17(23)24)20-21-22(15)14-7-4-11(18)8-13(14)19/h2-8H,9H2,1H3,(H,23,24)/p-1