2-[3-[3-[5-(3,5-dimethylpyrazol-1-yl)-6-methyl-2H-pyridin-1-yl]-1H-pyrazol-5-yl]pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[3-[3-[5-(3,5-dimethylpyrazol-1-yl)-6-methyl-2H-pyridin-1-yl]-1H-pyrazol-5-yl]pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[3-[3-[5-(3,5-dimethylpyrazol-1-yl)-6-methyl-2H-pyridin-1-yl]-1H-pyrazol-5-yl]pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone CAS Name: 2-[3-[3-[5-(3,5-dimethyl-1-pyrazolyl)-6-methyl-2H-pyridin-1-yl]-1H-pyrazol-5-yl]-1-pyridin-1-iumyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[3-[3-[5-(3,5-dimethylpyrazol-1-yl)-6-methyl-2H-pyridin-1-yl]-1H-pyrazol-5-yl]pyridin-1-ium-1-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[3-[3-[5-(3,5-dimethylpyrazol-1-yl)-6-methyl-2H-pyridin-1-yl]-1H-pyrazol-5-yl]pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone Formula: C25H25N6OS+ MolecularWeight: 457.5706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(N(CC=C2)C3=NNC(=C3)C4=C[N+](=CC=C4)CC(=O)C5=CC=CS5)C)C

Isomeric SMILES

CC1=CC(=NN1C2=C(N(CC=C2)C3=NNC(=C3)C4=C[N+](=CC=C4)CC(=O)C5=CC=CS5)C)C

InChI

InChI=1S/C25H25N6OS/c1-17-13-18(2)31(28-17)22-8-5-11-30(19(22)3)25-14-21(26-27-25)20-7-4-10-29(15-20)16-23(32)24-9-6-12-33-24/h4-10,12-15H,11,16H2,1-3H3,(H,26,27)/q+1