4-ethyl-3-(4-fluoranyl-2-nitro-phenyl)sulfanyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-(4-fluoranyl-2-nitro-phenyl)sulfanyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-(4-fluoro-2-nitro-phenyl)sulfanyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(4-fluoro-2-nitrophenyl)thio]-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 4-ethyl-3-(4-fluoro-2-nitrophenyl)sulfanyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-[(4-fluoro-2-nitro-phenyl)thio]-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C20H20FN5O4S2 MolecularWeight: 477.532303

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)F)[N+](=O)[O-])C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)F)[N+](=O)[O-])C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H20FN5O4S2/c1-2-25-19(14-6-5-7-16(12-14)32(29,30)24-10-3-4-11-24)22-23-20(25)31-18-9-8-15(21)13-17(18)26(27)28/h5-9,12-13H,2-4,10-11H2,1H3