4-(4-bromophenyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanylmethyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-bromophenyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanylmethyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-bromophenyl)-5-[(2-chloro-4-fluoro-phenyl)methylsulfanylmethyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(4-bromophenyl)-5-[[(2-chloro-4-fluorophenyl)methylthio]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-bromophenyl)-5-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-bromophenyl)-5-[[(2-chloro-4-fluoro-benzyl)thio]methyl]-1,2,4-triazole-3-thiolate Formula: C16H11BrClFN3S2- MolecularWeight: 443.764043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NN=C2[S-])CSCC3=C(C=C(C=C3)F)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1N2C(=NN=C2[S-])CSCC3=C(C=C(C=C3)F)Cl)Br

InChI

InChI=1S/C16H12BrClFN3S2/c17-11-2-5-13(6-3-11)22-15(20-21-16(22)23)9-24-8-10-1-4-12(19)7-14(10)18/h1-7H,8-9H2,(H,21,23)/p-1