3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 3-[(2-chloro-4-fluorophenyl)methylthio]-4-ethyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-ethyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 3-[(2-chloro-4-fluoro-benzyl)thio]-4-ethyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C21H22ClFN4O2S2 MolecularWeight: 481.006383

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C=C(C=C2)F)Cl)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=C(C=C2)F)Cl)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22ClFN4O2S2/c1-2-27-20(24-25-21(27)30-14-16-8-9-17(23)13-19(16)22)15-6-5-7-18(12-15)31(28,29)26-10-3-4-11-26/h5-9,12-13H,2-4,10-11,14H2,1H3