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

Systemtic Name: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[[5-(7-methoxybenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[[5-(7-methoxy-2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[[5-(7-methoxybenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C19H24N5O3S+ MolecularWeight: 402.49056

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=NN=C(N2C)C3=CC4=C(O3)C(=CC=C4)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=NN=C(N2C)C3=CC4=C(O3)C(=CC=C4)OC

InChI

InChI=1S/C19H23N5O3S/c1-22-7-9-24(10-8-22)16(25)12-28-19-21-20-18(23(19)2)15-11-13-5-4-6-14(26-3)17(13)27-15/h4-6,11H,7-10,12H2,1-3H3/p+1