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

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[[(2-chloro-4-fluorophenyl)methylthio]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[[(2-chloro-4-fluoro-benzyl)thio]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C16H13ClFN3S2 MolecularWeight: 365.875923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NNC2=S)CSCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NNC2=S)CSCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C16H13ClFN3S2/c17-14-8-12(18)7-6-11(14)9-23-10-15-19-20-16(22)21(15)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,20,22)