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

Systemtic Name: 1-(3-bromophenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-(3-bromophenyl)-5-(p-tolylsulfanylmethyl)triazole-4-carboxylate CAS Name: 1-(3-bromophenyl)-5-[[(4-methylphenyl)thio]methyl]-4-triazolecarboxylate IUPAC Name: 1-(3-bromophenyl)-5-[(4-methylphenyl)sulfanylmethyl]triazole-4-carboxylate Traditional Name: 1-(3-bromophenyl)-5-[(p-tolylthio)methyl]triazole-4-carboxylate Formula: C17H13BrN3O2S- MolecularWeight: 403.27302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3O2S/c1-11-5-7-14(8-6-11)24-10-15-16(17(22)23)19-20-21(15)13-4-2-3-12(18)9-13/h2-9H,10H2,1H3,(H,22,23)/p-1