2-[(E)-[2-(3-cyano-4,6-diphenyl-pyridin-1-ium-2-yl)sulfanylethanoylhydrazinylidene]methyl]-4-nitro-phenolate

Systemtic Name: 2-[(E)-[2-(3-cyano-4,6-diphenyl-pyridin-1-ium-2-yl)sulfanylethanoylhydrazinylidene]methyl]-4-nitro-phenolate Openeye Name: 2-[(E)-[[2-(3-cyano-4,6-diphenyl-pyridin-1-ium-2-yl)sulfanylacetyl]hydrazono]methyl]-4-nitro-phenolate CAS Name: 2-[(E)-[[2-[(3-cyano-4,6-diphenyl-2-pyridin-1-iumyl)thio]-1-oxoethyl]hydrazinylidene]methyl]-4-nitrophenolate IUPAC Name: 2-[(E)-[[2-(3-cyano-4,6-diphenylpyridin-1-ium-2-yl)sulfanylacetyl]hydrazinylidene]methyl]-4-nitrophenolate Traditional Name: 2-[(E)-[[2-[(3-cyano-4,6-diphenyl-pyridin-1-ium-2-yl)thio]acetyl]hydrazono]methyl]-4-nitro-phenolate Formula: C27H19N5O4S MolecularWeight: 509.53586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=[NH+]C(=C2C#N)SCC(=O)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=[NH+]C(=C2C#N)SCC(=O)N/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])[O-])C4=CC=CC=C4

InChI

InChI=1S/C27H19N5O4S/c28-15-23-22(18-7-3-1-4-8-18)14-24(19-9-5-2-6-10-19)30-27(23)37-17-26(34)31-29-16-20-13-21(32(35)36)11-12-25(20)33/h1-14,16,33H,17H2,(H,31,34)/b29-16+