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

Systemtic Name: 4,6-dimethyl-2-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-pyridin-1-ium-3-carbonitrile Openeye Name: 4,6-dimethyl-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-pyridin-1-ium-3-carbonitrile CAS Name: 4,6-dimethyl-2-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]-3-pyridin-1-iumcarbonitrile IUPAC Name: 4,6-dimethyl-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]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C19H15N2O3S+ MolecularWeight: 351.399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N2O3S/c1-11-7-12(2)21-18(15(11)9-20)25-10-16(22)14-8-13-5-3-4-6-17(13)24-19(14)23/h3-8H,10H2,1-2H3/p+1