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

Systemtic Name: [(E)-[[3,4-bis(methylsulfanyl)phenyl]-cyano-methylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(E)-[[3,4-bis(methylsulfanyl)phenyl]-cyano-methylene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-[[3,4-bis(methylthio)phenyl]-cyanomethylidene]amino] ester IUPAC Name: [(E)-[[3,4-bis(methylsulfanyl)phenyl]-cyanomethylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-[[3,4-bis(methylthio)phenyl]-cyano-methylene]amino] ester Formula: C17H16N2O3S3 MolecularWeight: 392.51554

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S3/c1-12-4-7-14(8-5-12)25(20,21)22-19-15(11-18)13-6-9-16(23-2)17(10-13)24-3/h4-10H,1-3H3/b19-15-