3-(1,3-benzothiazol-2-ylsulfanylmethyl)benzenesulfinic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)benzenesulfinic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)benzenesulfinic acid CAS Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]benzenesulfinic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)benzenesulfinic acid Traditional Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]benzenesulfinic acid Formula: C14H11NO2S3 MolecularWeight: 321.43764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=CC=C3)S(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=CC=C3)S(=O)O

InChI

InChI=1S/C14H11NO2S3/c16-20(17)11-5-3-4-10(8-11)9-18-14-15-12-6-1-2-7-13(12)19-14/h1-8H,9H2,(H,16,17)