[(E)-[cyano(pyridin-3-yl)methylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(E)-[cyano(pyridin-3-yl)methylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(E)-[cyano(3-pyridyl)methylene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-[cyano(3-pyridinyl)methylidene]amino] ester IUPAC Name: [(E)-[cyano(pyridin-3-yl)methylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-[cyano(3-pyridyl)methylene]amino] ester Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(C#N)C2=CN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(/C#N)\C2=CN=CC=C2

InChI

InChI=1S/C14H11N3O3S/c1-11-4-6-13(7-5-11)21(18,19)20-17-14(9-15)12-3-2-8-16-10-12/h2-8,10H,1H3/b17-14-