sodium (2E)-2-diazanylidene-3-ethyl-1,3-benzothiazole-6-sulfonate

Systemtic Name: sodium (2E)-2-diazanylidene-3-ethyl-1,3-benzothiazole-6-sulfonate Openeye Name: sodium (2E)-3-ethyl-2-hydrazinylidene-1,3-benzothiazole-6-sulfonate CAS Name: sodium (2E)-3-ethyl-2-hydrazinylidene-1,3-benzothiazole-6-sulfonate IUPAC Name: sodium (2E)-3-ethyl-2-hydrazinylidene-1,3-benzothiazole-6-sulfonate Traditional Name: sodium (2E)-3-ethyl-2-hydrazono-1,3-benzothiazole-6-sulfonate Formula: C9H10N3NaO3S2 MolecularWeight: 295.31377

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)[O-])SC1=NN.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C9H11N3O3S2.Na/c1-2-12-7-4-3-6(17(13,14)15)5-8(7)16-9(12)11-10;/h3-5H,2,10H2,1H3,(H,13,14,15);/q;+1/p-1/b11-9+;