3-(1,3-benzothiazol-2-ylsulfanyl)propane-1,2-diol

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1,2-diol Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1,2-diol CAS Name: 3-(1,3-benzothiazol-2-ylthio)propane-1,2-diol IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)propane-1,2-diol Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propane-1,2-diol Formula: C10H11NO2S2 MolecularWeight: 241.32984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(CO)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(CO)O

InChI

InChI=1S/C10H11NO2S2/c12-5-7(13)6-14-10-11-8-3-1-2-4-9(8)15-10/h1-4,7,12-13H,5-6H2