2-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-1-ium-2-yl)sulfanyl-N-[9,10-bis(oxidanylidene)anthracen-2-yl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-1-ium-2-yl)sulfanyl-N-[9,10-bis(oxidanylidene)anthracen-2-yl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-4-isopropyl-pyridin-1-ium-2-yl)sulfanyl-N-(9,10-dioxo-2-anthryl)acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-propan-2-yl-2-pyridin-1-iumyl)thio]-N-(9,10-dioxo-2-anthracenyl)acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-propan-2-ylpyridin-1-ium-2-yl)sulfanyl-N-(9,10-dioxoanthracen-2-yl)acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-isopropyl-pyridin-1-ium-2-yl)thio]-N-(9,10-diketo-2-anthryl)acetamide Formula: C26H20N5O3S+ MolecularWeight: 482.5337

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=[NH+]C(=C1C#N)SCC(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=[NH+]C(=C1C#N)SCC(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N)C#N

InChI

InChI=1S/C26H19N5O3S/c1-13(2)22-19(10-27)25(29)31-26(20(22)11-28)35-12-21(32)30-14-7-8-17-18(9-14)24(34)16-6-4-3-5-15(16)23(17)33/h3-9,13H,12H2,1-2H3,(H2,29,31)(H,30,32)/p+1