2-[3-[5-(diphenylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(4-nitrothiophen-2-yl)ethanone

Systemtic Name: 2-[3-[5-(diphenylmethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(4-nitrothiophen-2-yl)ethanone Openeye Name: 2-[3-(5-benzhydryl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-(4-nitro-2-thienyl)ethanone CAS Name: 2-[3-[5-(diphenylmethyl)-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]-1-(4-nitro-2-thiophenyl)ethanone IUPAC Name: 2-[3-(5-benzhydryl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-(4-nitrothiophen-2-yl)ethanone Traditional Name: 2-[3-(5-benzhydryl-1H-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-(4-nitro-2-thienyl)ethanone Formula: C27H21N4O3S+ MolecularWeight: 481.54564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC(=NN3)C4=C[N+](=CC=C4)CC(=O)C5=CC(=CS5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC(=NN3)C4=C[N+](=CC=C4)CC(=O)C5=CC(=CS5)[N+](=O)[O-]

InChI

InChI=1S/C27H21N4O3S/c32-25(26-14-22(18-35-26)31(33)34)17-30-13-7-12-21(16-30)23-15-24(29-28-23)27(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-16,18,27H,17H2,(H,28,29)/q+1