1-[4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonylpiperidine

Systemtic Name: 1-[4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[4-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[4-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]-3-nitro-phenyl]sulfonylpiperidine Formula: C18H19N5O5S2 MolecularWeight: 449.50396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C18H19N5O5S2/c1-21-17(15-6-5-11-28-15)19-20-18(21)29-16-8-7-13(12-14(16)23(24)25)30(26,27)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3