4-ethyl-3-[2-(2-fluoranylphenoxy)ethylsulfanyl]-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole

Systemtic Name: 4-ethyl-3-[2-(2-fluoranylphenoxy)ethylsulfanyl]-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-[2-(2-fluorophenoxy)ethylsulfanyl]-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[2-(2-fluorophenoxy)ethylthio]-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 4-ethyl-3-[2-(2-fluorophenoxy)ethylsulfanyl]-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-[2-(2-fluorophenoxy)ethylthio]-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C22H25FN4O3S2 MolecularWeight: 476.587303

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=CC=C2F)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=CC=C2F)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25FN4O3S2/c1-2-27-21(17-8-7-9-18(16-17)32(28,29)26-12-5-6-13-26)24-25-22(27)31-15-14-30-20-11-4-3-10-19(20)23/h3-4,7-11,16H,2,5-6,12-15H2,1H3