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

Systemtic Name: 1-(3-bromophenyl)-5-(phenylsulfanylmethyl)-1,2,3-triazole-4-carboxylate Openeye Name: 1-(3-bromophenyl)-5-(phenylsulfanylmethyl)triazole-4-carboxylate CAS Name: 1-(3-bromophenyl)-5-[(phenylthio)methyl]-4-triazolecarboxylate IUPAC Name: 1-(3-bromophenyl)-5-(phenylsulfanylmethyl)triazole-4-carboxylate Traditional Name: 1-(3-bromophenyl)-5-[(phenylthio)methyl]triazole-4-carboxylate Formula: C16H11BrN3O2S- MolecularWeight: 389.24644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3O2S/c17-11-5-4-6-12(9-11)20-14(15(16(21)22)18-19-20)10-23-13-7-2-1-3-8-13/h1-9H,10H2,(H,21,22)/p-1