2-[[4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[[4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[[4-ethyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[[4-ethyl-5-(7-methoxy-2-benzofuranyl)-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[[4-ethyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C20H26N5O3S+ MolecularWeight: 416.51714

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CC[NH+](CC2)C)C3=CC4=C(O3)C(=CC=C4)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CC[NH+](CC2)C)C3=CC4=C(O3)C(=CC=C4)OC

InChI

InChI=1S/C20H25N5O3S/c1-4-25-19(16-12-14-6-5-7-15(27-3)18(14)28-16)21-22-20(25)29-13-17(26)24-10-8-23(2)9-11-24/h5-7,12H,4,8-11,13H2,1-3H3/p+1