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

Systemtic Name: 2-azanyl-6-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-4-phenylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-4-phenylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C21H14N5O3S+ MolecularWeight: 416.43256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C21H13N5O3S/c22-10-16-19(14-4-2-1-3-5-14)17(11-23)21(25-20(16)24)30-12-18(27)13-6-8-15(9-7-13)26(28)29/h1-9H,12H2,(H2,24,25)/p+1