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

Systemtic Name: 1-[4-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonylpiperidine Openeye Name: 1-[4-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonylpiperidine CAS Name: 1-[4-[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-3-nitrophenyl]sulfonylpiperidine IUPAC Name: 1-[4-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitrophenyl]sulfonylpiperidine Traditional Name: 1-[4-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-3-nitro-phenyl]sulfonylpiperidine Formula: C20H23N5O5S2 MolecularWeight: 477.55712

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C4=C(OC=C4)C

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-])C4=C(OC=C4)C

InChI

InChI=1S/C20H23N5O5S2/c1-3-24-19(16-9-12-30-14(16)2)21-22-20(24)31-18-8-7-15(13-17(18)25(26)27)32(28,29)23-10-5-4-6-11-23/h7-9,12-13H,3-6,10-11H2,1-2H3