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

Systemtic Name: 1-[4-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonyl-3-methyl-piperidine Openeye Name: 1-[4-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonyl-3-methyl-piperidine CAS Name: 1-[4-[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-3-nitrophenyl]sulfonyl-3-methylpiperidine IUPAC Name: 1-[4-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitrophenyl]sulfonyl-3-methylpiperidine Traditional Name: 1-[4-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-3-nitro-phenyl]sulfonyl-3-methyl-piperidine Formula: C21H25N5O5S2 MolecularWeight: 491.5837

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C)[N+](=O)[O-])C4=C(OC=C4)C

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C)[N+](=O)[O-])C4=C(OC=C4)C

InChI

InChI=1S/C21H25N5O5S2/c1-4-25-20(17-9-11-31-15(17)3)22-23-21(25)32-19-8-7-16(12-18(19)26(27)28)33(29,30)24-10-5-6-14(2)13-24/h7-9,11-12,14H,4-6,10,13H2,1-3H3