1-[[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-ethyl-5-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]thio]acetone Formula: C18H26N5O3S2+ MolecularWeight: 424.56074

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H25N5O3S2/c1-4-23-17(19-20-18(23)27-13-14(2)24)15-5-7-16(8-6-15)28(25,26)22-11-9-21(3)10-12-22/h5-8H,4,9-13H2,1-3H3/p+1