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

Systemtic Name: 2-azanyl-6-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-4-propan-2-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-isopropyl-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]-4-propan-2-ylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-propan-2-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-isopropyl-6-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C21H17N4O3S+ MolecularWeight: 405.44968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC3=CC=CC=C3OC2=O)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC3=CC=CC=C3OC2=O)N)C#N

InChI

InChI=1S/C21H16N4O3S/c1-11(2)18-14(8-22)19(24)25-20(15(18)9-23)29-10-16(26)13-7-12-5-3-4-6-17(12)28-21(13)27/h3-7,11H,10H2,1-2H3,(H2,24,25)/p+1