[(Z)-[cyano-(4-methylsulfanylphenyl)methylidene]amino] propane-1-sulfonate

Systemtic Name: [(Z)-[cyano-(4-methylsulfanylphenyl)methylidene]amino] propane-1-sulfonate Openeye Name: [(Z)-[cyano-(4-methylsulfanylphenyl)methylene]amino] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [(Z)-[cyano-(4-methylsulfanylphenyl)methylidene]amino] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [(Z)-[cyano-[4-(methylthio)phenyl]methylene]amino] ester Formula: C12H14N2O3S2 MolecularWeight: 298.38116

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)ON=C(C#N)C1=CC=C(C=C1)SC

Isomeric SMILES

CCCS(=O)(=O)O/N=C(\C#N)/C1=CC=C(C=C1)SC

InChI

InChI=1S/C12H14N2O3S2/c1-3-8-19(15,16)17-14-12(9-13)10-4-6-11(18-2)7-5-10/h4-7H,3,8H2,1-2H3/b14-12+