(4E)-4-(2-azanyl-1-cyano-2-oxidanylidene-ethylidene)-2,3-dihydrothiochromene-6-sulfonate

Systemtic Name: (4E)-4-(2-azanyl-1-cyano-2-oxidanylidene-ethylidene)-2,3-dihydrothiochromene-6-sulfonate Openeye Name: (4E)-4-(2-amino-1-cyano-2-oxo-ethylidene)thiochromane-6-sulfonate CAS Name: (4E)-4-(2-amino-1-cyano-2-oxoethylidene)-2,3-dihydro-1-benzothiopyran-6-sulfonate IUPAC Name: (4E)-4-(2-amino-1-cyano-2-oxoethylidene)-2,3-dihydrothiochromene-6-sulfonate Traditional Name: (4E)-4-(2-amino-1-cyano-2-keto-ethylidene)thiochroman-6-sulfonate Formula: C12H9N2O4S2- MolecularWeight: 309.34086

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1=C(C#N)C(=O)N)C=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

C\1CSC2=C(/C1=C(\C#N)/C(=O)N)C=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C12H10N2O4S2/c13-6-10(12(14)15)8-3-4-19-11-2-1-7(5-9(8)11)20(16,17)18/h1-2,5H,3-4H2,(H2,14,15)(H,16,17,18)/p-1/b10-8+