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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SC3=C(C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SC3=C(C=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)[N+](=O)[O-]

InChI

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