4-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-fluorophenyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-fluorophenyl)-3-(4-pyrrolidinosulfonylphenyl)-1H-1,2,4-triazole-5-thione Formula: C18H17FN4O2S2 MolecularWeight: 404.481583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NNC(=S)N3C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NNC(=S)N3C4=CC=C(C=C4)F

InChI

InChI=1S/C18H17FN4O2S2/c19-14-5-7-15(8-6-14)23-17(20-21-18(23)26)13-3-9-16(10-4-13)27(24,25)22-11-1-2-12-22/h3-10H,1-2,11-12H2,(H,21,26)