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

Systemtic Name: 2-azanyl-4-ethyl-6-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-ethyl-6-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-ethyl-6-[[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-ethyl-6-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-ethyl-6-[[2-keto-2-(2,4,5-trimethylphenyl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C20H21N4OS+ MolecularWeight: 365.47194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC(=C(C=C2C)C)C)N)C#N

Isomeric SMILES

CCC1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC(=C(C=C2C)C)C)N)C#N

InChI

InChI=1S/C20H20N4OS/c1-5-14-16(8-21)19(23)24-20(17(14)9-22)26-10-18(25)15-7-12(3)11(2)6-13(15)4/h6-7H,5,10H2,1-4H3,(H2,23,24)/p+1