[(E)-[cyano-(3-methoxy-4-methylsulfanyl-phenyl)methylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(E)-[cyano-(3-methoxy-4-methylsulfanyl-phenyl)methylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(E)-[cyano-(3-methoxy-4-methylsulfanyl-phenyl)methylene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-[cyano-[3-methoxy-4-(methylthio)phenyl]methylidene]amino] ester IUPAC Name: [(E)-[cyano-(3-methoxy-4-methylsulfanylphenyl)methylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-[cyano-[3-methoxy-4-(methylthio)phenyl]methylene]amino] ester Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4S2/c1-12-4-7-14(8-5-12)25(20,21)23-19-15(11-18)13-6-9-17(24-3)16(10-13)22-2/h4-10H,1-3H3/b19-15-