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

Systemtic Name: 2-azanyl-4-(4-ethoxyphenyl)-6-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-ethoxyphenyl)-6-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-ethoxyphenyl)-6-[[2-(4-nitrophenyl)-2-oxoethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-ethoxyphenyl)-6-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-4-p-phenetyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C23H18N5O4S+ MolecularWeight: 460.48512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C23H17N5O4S/c1-2-32-17-9-5-15(6-10-17)21-18(11-24)22(26)27-23(19(21)12-25)33-13-20(29)14-3-7-16(8-4-14)28(30)31/h3-10H,2,13H2,1H3,(H2,26,27)/p+1