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

Systemtic Name: 2-azanyl-6-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-4-thiophen-2-yl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-thiophen-2-ylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]-4-(2-thienyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C22H13N4O3S2+ MolecularWeight: 445.49362

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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=CS4)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=CS4)C#N

InChI

InChI=1S/C22H12N4O3S2/c23-9-14-19(18-6-3-7-30-18)15(10-24)21(26-20(14)25)31-11-16(27)13-8-12-4-1-2-5-17(12)29-22(13)28/h1-8H,11H2,(H2,25,26)/p+1