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

Systemtic Name: 4-ethyl-3-[(3-fluorophenyl)methylsulfanyl]-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Openeye Name: 4-ethyl-3-[(3-fluorophenyl)methylsulfanyl]-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole CAS Name: 4-ethyl-3-[(3-fluorophenyl)methylthio]-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(3-fluorophenyl)methylsulfanyl]-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazole Traditional Name: 4-ethyl-3-[(3-fluorobenzyl)thio]-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazole Formula: C21H23FN4O2S2 MolecularWeight: 446.561323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN4O2S2/c1-2-26-20(23-24-21(26)29-15-16-7-5-9-18(22)13-16)17-8-6-10-19(14-17)30(27,28)25-11-3-4-12-25/h5-10,13-14H,2-4,11-12,15H2,1H3