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

Systemtic Name: 4-(4-bromophenyl)-3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-bromophenyl)-3-[(2-chloro-4-fluoro-phenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-bromophenyl)-3-[[(2-chloro-4-fluorophenyl)methylthio]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-bromophenyl)-3-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-bromophenyl)-3-[[(2-chloro-4-fluoro-benzyl)thio]methyl]-1H-1,2,4-triazole-5-thione Formula: C16H12BrClFN3S2 MolecularWeight: 444.771983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=NNC2=S)CSCC3=C(C=C(C=C3)F)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1N2C(=NNC2=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)