1-(4-bromophenyl)-2-[[5-[(2-fluorophenyl)methylsulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[[5-[(2-fluorophenyl)methylsulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-[(2-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone CAS Name: 1-(4-bromophenyl)-2-[[5-[[(2-fluorophenyl)methylthio]methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[5-[(2-fluorophenyl)methylsulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-[[(2-fluorobenzyl)thio]methyl]-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)ethanone Formula: C21H19BrFN3OS2 MolecularWeight: 492.427463

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CSCC3=CC=CC=C3F

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)CSCC3=CC=CC=C3F

InChI

InChI=1S/C21H19BrFN3OS2/c1-2-11-26-20(14-28-12-16-5-3-4-6-18(16)23)24-25-21(26)29-13-19(27)15-7-9-17(22)10-8-15/h2-10H,1,11-14H2