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

Systemtic Name: 4-(4-butylphenyl)-3-[(4-fluorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-butylphenyl)-3-[(4-fluorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-butylphenyl)-3-[[(4-fluorophenyl)methylthio]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-butylphenyl)-3-[(4-fluorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-butylphenyl)-3-[[(4-fluorobenzyl)thio]methyl]-1H-1,2,4-triazole-5-thione Formula: C20H22FN3S2 MolecularWeight: 387.537183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3S2/c1-2-3-4-15-7-11-18(12-8-15)24-19(22-23-20(24)25)14-26-13-16-5-9-17(21)10-6-16/h5-12H,2-4,13-14H2,1H3,(H,23,25)