2-azanyl-4-(4-hydroxyphenyl)-6-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(4-hydroxyphenyl)-6-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-hydroxyphenyl)-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-hydroxyphenyl)-6-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-hydroxyphenyl)-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-hydroxyphenyl)-6-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C24H15N4O4S+ MolecularWeight: 455.4653

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CSC3=C(C(=C(C(=[NH+]3)N)C#N)C4=CC=C(C=C4)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)CSC3=C(C(=C(C(=[NH+]3)N)C#N)C4=CC=C(C=C4)O)C#N

InChI

InChI=1S/C24H14N4O4S/c25-10-17-21(13-5-7-15(29)8-6-13)18(11-26)23(28-22(17)27)33-12-19(30)16-9-14-3-1-2-4-20(14)32-24(16)31/h1-9,29H,12H2,(H2,27,28)/p+1