sodium 3-[(2Z)-2-(2-sulfanylidenebutylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate

Systemtic Name: sodium 3-[(2Z)-2-(2-sulfanylidenebutylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Openeye Name: sodium 3-[(2Z)-2-(2-thioxobutylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate CAS Name: sodium 3-[(2Z)-2-(2-sulfanylidenebutylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonate IUPAC Name: sodium 3-[(2Z)-2-(2-sulfanylidenebutylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Traditional Name: sodium 3-[(2Z)-2-(2-thioxobutylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonate Formula: C14H16NNaO3S3 MolecularWeight: 365.46651

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)C=C1N(C2=CC=CC=C2S1)CCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC(=S)/C=C\1/N(C2=CC=CC=C2S1)CCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H17NO3S3.Na/c1-2-11(19)10-14-15(8-5-9-21(16,17)18)12-6-3-4-7-13(12)20-14;/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,16,17,18);/q;+1/p-1/b14-10-;