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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-yl)-3-[[(4-fluorophenyl)methylthio]methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)methylsulfanylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-[[(4-fluorobenzyl)thio]methyl]-1H-1,2,4-triazole-5-thione Formula: C17H14FN3O2S2 MolecularWeight: 375.440363

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)CSCC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)CSCC4=CC=C(C=C4)F

InChI

InChI=1S/C17H14FN3O2S2/c18-12-3-1-11(2-4-12)8-25-9-16-19-20-17(24)21(16)13-5-6-14-15(7-13)23-10-22-14/h1-7H,8-10H2,(H,20,24)