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

Systemtic Name: 3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazole Openeye Name: 3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-5-[(2R)-tetrahydrofuran-2-yl]-1H-1,2,4-triazole CAS Name: 3-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]thio]-5-[(2R)-2-oxolanyl]-1H-1,2,4-triazole IUPAC Name: 3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-5-[(2R)-oxolan-2-yl]-1H-1,2,4-triazole Traditional Name: 3-[(2-nitro-4-pyrrolidinosulfonyl-phenyl)thio]-5-[(2R)-tetrahydrofuran-2-yl]-1H-1,2,4-triazole Formula: C16H19N5O5S2 MolecularWeight: 425.48256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)C4CCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NNC(=N3)[C@H]4CCCO4)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O5S2/c22-21(23)12-10-11(28(24,25)20-7-1-2-8-20)5-6-14(12)27-16-17-15(18-19-16)13-4-3-9-26-13/h5-6,10,13H,1-4,7-9H2,(H,17,18,19)/t13-/m1/s1