2-[4-[[3-[1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-yl]-1H-pyrazol-5-yl]methylsulfanyl]pyridin-3-yl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[4-[[3-[1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-yl]-1H-pyrazol-5-yl]methylsulfanyl]pyridin-3-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[4-[[3-[1-[2-oxo-2-(2-thienyl)ethyl]pyridin-1-ium-3-yl]-1H-pyrazol-5-yl]methylsulfanyl]-3-pyridyl]-1-(2-thienyl)ethanone CAS Name: 2-[4-[[3-[1-(2-oxo-2-thiophen-2-ylethyl)-3-pyridin-1-iumyl]-1H-pyrazol-5-yl]methylthio]-3-pyridinyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[4-[[3-[1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-yl]-1H-pyrazol-5-yl]methylsulfanyl]pyridin-3-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[4-[[3-[1-[2-keto-2-(2-thienyl)ethyl]pyridin-1-ium-3-yl]-1H-pyrazol-5-yl]methylthio]-3-pyridyl]-1-(2-thienyl)ethanone Formula: C26H21N4O2S3+ MolecularWeight: 517.66554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(=O)C2=CC=CS2)C3=NNC(=C3)CSC4=C(C=NC=C4)CC(=O)C5=CC=CS5

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(=O)C2=CC=CS2)C3=NNC(=C3)CSC4=C(C=NC=C4)CC(=O)C5=CC=CS5

InChI

InChI=1S/C26H21N4O2S3/c31-22(25-5-2-10-33-25)12-19-14-27-8-7-24(19)35-17-20-13-21(29-28-20)18-4-1-9-30(15-18)16-23(32)26-6-3-11-34-26/h1-11,13-15H,12,16-17H2,(H,28,29)/q+1