[(Z)-[cyano-(4-methylsulfanylphenyl)methylidene]amino] 4-nitrobenzenesulfonate

Systemtic Name: [(Z)-[cyano-(4-methylsulfanylphenyl)methylidene]amino] 4-nitrobenzenesulfonate Openeye Name: [(Z)-[cyano-(4-methylsulfanylphenyl)methylene]amino] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(Z)-[cyano-[4-(methylthio)phenyl]methylidene]amino] ester IUPAC Name: [(Z)-[cyano-(4-methylsulfanylphenyl)methylidene]amino] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(Z)-[cyano-[4-(methylthio)phenyl]methylene]amino] ester Formula: C15H11N3O5S2 MolecularWeight: 377.39494

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=NOS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CSC1=CC=C(C=C1)/C(=N/OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C15H11N3O5S2/c1-24-13-6-2-11(3-7-13)15(10-16)17-23-25(21,22)14-8-4-12(5-9-14)18(19)20/h2-9H,1H3/b17-15+