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

Systemtic Name: 2-[[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-ethyl-5-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-ethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H25N6O3S2+ MolecularWeight: 425.5488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N6O3S2/c1-3-23-16(19-20-17(23)27-12-15(18)24)13-4-6-14(7-5-13)28(25,26)22-10-8-21(2)9-11-22/h4-7H,3,8-12H2,1-2H3,(H2,18,24)/p+1