[(E)-[cyano-(4-fluorophenyl)methylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(E)-[cyano-(4-fluorophenyl)methylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(E)-[cyano-(4-fluorophenyl)methylene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-[cyano-(4-fluorophenyl)methylidene]amino] ester IUPAC Name: [(E)-[cyano-(4-fluorophenyl)methylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-[cyano-(4-fluorophenyl)methylene]amino] ester Formula: C15H11FN2O3S MolecularWeight: 318.322843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11FN2O3S/c1-11-2-8-14(9-3-11)22(19,20)21-18-15(10-17)12-4-6-13(16)7-5-12/h2-9H,1H3/b18-15-