2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-thiophen-2-yl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-thiophen-2-yl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-6-(2-thienyl)pyridin-1-ium-3-carbonitrile CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-6-thiophen-2-yl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-6-thiophen-2-ylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-6-(2-thienyl)pyridin-1-ium-3-carbonitrile Formula: C20H17N2O3S2+ MolecularWeight: 397.49058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=C(C=CC(=[NH+]2)C3=CC=CS3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=C(C=CC(=[NH+]2)C3=CC=CS3)C#N)OC

InChI

InChI=1S/C20H16N2O3S2/c1-24-17-8-6-13(10-18(17)25-2)16(23)12-27-20-14(11-21)5-7-15(22-20)19-4-3-9-26-19/h3-10H,12H2,1-2H3/p+1