3-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-sulfanylidene-propane-1-sulfonic acid

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-sulfanylidene-propane-1-sulfonic acid Openeye Name: 3-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-thioxo-propane-1-sulfonic acid CAS Name: 3-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-sulfanylidene-1-propanesulfonic acid IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-sulfanylidenepropane-1-sulfonic acid Traditional Name: 3-(1,3-benzothiazol-2-yl)-2,2-dimethyl-3-thioxo-propane-1-sulfonic acid Formula: C12H13NO3S3 MolecularWeight: 315.43152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)O)C(=S)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)(CS(=O)(=O)O)C(=S)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H13NO3S3/c1-12(2,7-19(14,15)16)10(17)11-13-8-5-3-4-6-9(8)18-11/h3-6H,7H2,1-2H3,(H,14,15,16)