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

Systemtic Name: 2-azanyl-6-[2-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-ethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(6-bromo-2-oxo-chromen-3-yl)-2-oxo-ethyl]sulfanyl-4-(4-ethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(6-bromo-2-oxo-1-benzopyran-3-yl)-2-oxoethyl]thio]-4-(4-ethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(6-bromo-2-oxochromen-3-yl)-2-oxoethyl]sulfanyl-4-(4-ethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(6-bromo-2-keto-chromen-3-yl)-2-keto-ethyl]thio]-4-p-phenetyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C26H18BrN4O4S+ MolecularWeight: 562.41452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O)N)C#N

InChI

InChI=1S/C26H17BrN4O4S/c1-2-34-17-6-3-14(4-7-17)23-19(11-28)24(30)31-25(20(23)12-29)36-13-21(32)18-10-15-9-16(27)5-8-22(15)35-26(18)33/h3-10H,2,13H2,1H3,(H2,30,31)/p+1