sodium (4Z)-4-(2-azanyl-1-cyano-2-oxidanylidene-ethylidene)-2,3-dihydrothiochromene-6-sulfonic acid

Systemtic Name: sodium (4Z)-4-(2-azanyl-1-cyano-2-oxidanylidene-ethylidene)-2,3-dihydrothiochromene-6-sulfonic acid Openeye Name: sodium (4Z)-4-(2-amino-1-cyano-2-oxo-ethylidene)thiochromane-6-sulfonic acid CAS Name: sodium (4Z)-4-(2-amino-1-cyano-2-oxoethylidene)-2,3-dihydro-1-benzothiopyran-6-sulfonic acid IUPAC Name: sodium (4Z)-4-(2-amino-1-cyano-2-oxoethylidene)-2,3-dihydrothiochromene-6-sulfonic acid Traditional Name: sodium (4Z)-4-(2-amino-1-cyano-2-keto-ethylidene)thiochroman-6-sulfonic acid Formula: C12H10N2NaO4S2+ MolecularWeight: 333.33857

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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.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O4S2.Na/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);/q;+1/b10-8-;