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

Systemtic Name: [(E)-[cyano-(4-methylsulfanylphenyl)methylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(E)-[cyano-(4-methylsulfanylphenyl)methylene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-[cyano-[4-(methylthio)phenyl]methylidene]amino] ester IUPAC Name: [(E)-[cyano-(4-methylsulfanylphenyl)methylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-[cyano-[4-(methylthio)phenyl]methylene]amino] ester Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S2/c1-12-3-9-15(10-4-12)23(19,20)21-18-16(11-17)13-5-7-14(22-2)8-6-13/h3-10H,1-2H3/b18-16-