1-(5-methylthiophen-2-yl)-2-[3-[5-(phenylsulfanylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone

Systemtic Name: 1-(5-methylthiophen-2-yl)-2-[3-[5-(phenylsulfanylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone Openeye Name: 1-(5-methyl-2-thienyl)-2-[3-[5-(phenylsulfanylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone CAS Name: 1-(5-methyl-2-thiophenyl)-2-[3-[5-[(phenylthio)methyl]-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]ethanone IUPAC Name: 1-(5-methylthiophen-2-yl)-2-[3-[5-(phenylsulfanylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone Traditional Name: 1-(5-methyl-2-thienyl)-2-[3-[5-[(phenylthio)methyl]-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]ethanone Formula: C22H20N3OS2+ MolecularWeight: 406.5437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)CSC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(S1)C(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C22H20N3OS2/c1-16-9-10-22(28-16)21(26)14-25-11-5-6-17(13-25)20-12-18(23-24-20)15-27-19-7-3-2-4-8-19/h2-13H,14-15H2,1H3,(H,23,24)/q+1