4,5,6-trimethyl-2-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-pyridin-1-ium-3-carbonitrile Openeye Name: 4,5,6-trimethyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-pyridin-1-ium-3-carbonitrile CAS Name: 4,5,6-trimethyl-2-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]-3-pyridin-1-iumcarbonitrile IUPAC Name: 4,5,6-trimethyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]-4,5,6-trimethyl-pyridin-1-ium-3-carbonitrile Formula: C20H17N2O3S+ MolecularWeight: 365.42558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=C(C(=C1C)C#N)SCC(=O)C2=CC3=CC=CC=C3OC2=O)C

Isomeric SMILES

CC1=C([NH+]=C(C(=C1C)C#N)SCC(=O)C2=CC3=CC=CC=C3OC2=O)C

InChI

InChI=1S/C20H16N2O3S/c1-11-12(2)16(9-21)19(22-13(11)3)26-10-17(23)15-8-14-6-4-5-7-18(14)25-20(15)24/h4-8H,10H2,1-3H3/p+1