1-(4-ethylpiperazin-4-ium-1-yl)-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-ethylpiperazin-4-ium-1-yl)-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone Openeye Name: 1-(4-ethylpiperazin-4-ium-1-yl)-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone CAS Name: 1-(4-ethyl-1-piperazin-4-iumyl)-2-[(6-phenyl-3-pyridazinyl)thio]ethanone IUPAC Name: 1-(4-ethylpiperazin-4-ium-1-yl)-2-(6-phenylpyridazin-3-yl)sulfanylethanone Traditional Name: 1-(4-ethylpiperazin-4-ium-1-yl)-2-[(6-phenylpyridazin-3-yl)thio]ethanone Formula: C18H23N4OS+ MolecularWeight: 343.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4OS/c1-2-21-10-12-22(13-11-21)18(23)14-24-17-9-8-16(19-20-17)15-6-4-3-5-7-15/h3-9H,2,10-14H2,1H3/p+1