3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole Traditional Name: 3-(2-brosylethylthio)-4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazole Formula: C19H17BrFN3O2S2 MolecularWeight: 482.389583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCCS(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4F

Isomeric SMILES

C1CC1N2C(=NN=C2SCCS(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4F

InChI

InChI=1S/C19H17BrFN3O2S2/c20-13-5-9-15(10-6-13)28(25,26)12-11-27-19-23-22-18(24(19)14-7-8-14)16-3-1-2-4-17(16)21/h1-6,9-10,14H,7-8,11-12H2