3-(1,3-benzodioxol-5-yl)-4-(3-chloranyl-4-fluoranyl-phenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-(3-chloranyl-4-fluoranyl-phenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-fluoro-phenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-fluoro-phenyl)-1H-1,2,4-triazole-5-thione Formula: C15H9ClFN3O2S MolecularWeight: 349.767263

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C15H9ClFN3O2S/c16-10-6-9(2-3-11(10)17)20-14(18-19-15(20)23)8-1-4-12-13(5-8)22-7-21-12/h1-6H,7H2,(H,19,23)