3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-cyclopentyl-1H-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-cyclopentyl-1H-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-cyclopentyl-1H-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-5-cyclopentyl-1H-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-cyclopentyl-1H-1,2,4-triazole Traditional Name: 3-(2-brosylethylthio)-5-cyclopentyl-1H-1,2,4-triazole Formula: C15H18BrN3O2S2 MolecularWeight: 416.35632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SCCS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SCCS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C15H18BrN3O2S2/c16-12-5-7-13(8-6-12)23(20,21)10-9-22-15-17-14(18-19-15)11-3-1-2-4-11/h5-8,11H,1-4,9-10H2,(H,17,18,19)