3-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[1-(4-bromophenyl)sulfonyl-2-pyrrolidinyl]-4-methyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(1-brosylpyrrolidin-2-yl)-4-methyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C20H20BrN5O4S2 MolecularWeight: 538.4379

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C3CCCN3S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H20BrN5O4S2/c1-24-19(22-23-20(24)31-13-14-4-8-16(9-5-14)26(27)28)18-3-2-12-25(18)32(29,30)17-10-6-15(21)7-11-17/h4-11,18H,2-3,12-13H2,1H3