3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazole

Systemtic Name: 3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazole Openeye Name: 3-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-5-[(2R)-tetrahydrofuran-2-yl]-1H-1,2,4-triazole CAS Name: 3-[(4-methylsulfonyl-2-nitrophenyl)thio]-5-[(2R)-2-oxolanyl]-1H-1,2,4-triazole IUPAC Name: 3-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazole Traditional Name: 3-[(4-mesyl-2-nitro-phenyl)thio]-5-[(2R)-tetrahydrofuran-2-yl]-1H-1,2,4-triazole Formula: C13H14N4O5S2 MolecularWeight: 370.40406

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)C3CCCO3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NNC(=N2)[C@H]3CCCO3)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O5S2/c1-24(20,21)8-4-5-11(9(7-8)17(18)19)23-13-14-12(15-16-13)10-3-2-6-22-10/h4-5,7,10H,2-3,6H2,1H3,(H,14,15,16)/t10-/m1/s1