1-[4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[4-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-[4-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium IUPAC Name: 1-[4-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitrophenyl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[4-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C19H23N6O5S2+ MolecularWeight: 479.55312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-])C4=CC=CO4

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-])C4=CC=CO4

InChI

InChI=1S/C19H22N6O5S2/c1-3-24-18(16-5-4-12-30-16)20-21-19(24)31-17-7-6-14(13-15(17)25(26)27)32(28,29)23-10-8-22(2)9-11-23/h4-7,12-13H,3,8-11H2,1-2H3/p+1