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

Systemtic Name: 4-(4-butylphenyl)-3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-butylphenyl)-3-[(2-chloro-4-fluoro-phenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-butylphenyl)-3-[[(2-chloro-4-fluorophenyl)methylthio]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-butylphenyl)-3-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-butylphenyl)-3-[[(2-chloro-4-fluoro-benzyl)thio]methyl]-1H-1,2,4-triazole-5-thione Formula: C20H21ClFN3S2 MolecularWeight: 421.982243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)CSCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)CSCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H21ClFN3S2/c1-2-3-4-14-5-9-17(10-6-14)25-19(23-24-20(25)26)13-27-12-15-7-8-16(22)11-18(15)21/h5-11H,2-4,12-13H2,1H3,(H,24,26)