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

Systemtic Name: 2-azanyl-6-[2-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(2-methylpropyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(6-bromo-2-oxo-chromen-3-yl)-2-oxo-ethyl]sulfanyl-4-isobutyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(6-bromo-2-oxo-1-benzopyran-3-yl)-2-oxoethyl]thio]-4-(2-methylpropyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(6-bromo-2-oxochromen-3-yl)-2-oxoethyl]sulfanyl-4-(2-methylpropyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(6-bromo-2-keto-chromen-3-yl)-2-keto-ethyl]thio]-4-isobutyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C22H18BrN4O3S+ MolecularWeight: 498.37232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)N)C#N

Isomeric SMILES

CC(C)CC1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O)N)C#N

InChI

InChI=1S/C22H17BrN4O3S/c1-11(2)5-14-16(8-24)20(26)27-21(17(14)9-25)31-10-18(28)15-7-12-6-13(23)3-4-19(12)30-22(15)29/h3-4,6-7,11H,5,10H2,1-2H3,(H2,26,27)/p+1