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

Systemtic Name: 2-azanyl-4-ethyl-6-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-ethyl-6-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-ethyl-6-[[2-oxo-2-(4-phenylphenyl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-ethyl-6-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-ethyl-6-[[2-keto-2-(4-phenylphenyl)ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C23H19N4OS+ MolecularWeight: 399.48816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)N)C#N

Isomeric SMILES

CCC1=C(C(=[NH+]C(=C1C#N)SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)N)C#N

InChI

InChI=1S/C23H18N4OS/c1-2-18-19(12-24)22(26)27-23(20(18)13-25)29-14-21(28)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11H,2,14H2,1H3,(H2,26,27)/p+1