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

Systemtic Name: 2-azanyl-4-methyl-6-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-methyl-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-methyl-6-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-methyl-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]-4-methyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C19H13N4O3S+ MolecularWeight: 377.39652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12N4O3S/c1-10-13(7-20)17(22)23-18(14(10)8-21)27-9-15(24)12-6-11-4-2-3-5-16(11)26-19(12)25/h2-6H,9H2,1H3,(H2,22,23)/p+1