Primary record
DTXSID001150020
- CAS
- 305372-43-4
- PubChem CID
- 3771994
- SMILES
- C1=CC=C2C(=C1)N=C(S2)C(=C(C3=CC(=C(C=C3)Cl)[N+](=O)[O-])O)C#N
- Molecular Formula
- C16H8ClN3O3S
- Molecular Weight
- 357.778
- Exact Mass
- 356.9975
- InChI
- InChI=1S/C16H8ClN3O3S/c17-11-6-5-9(7-13(11)20(22)23)15(21)10(8-18)16-19-12-3-1-2-4-14(12)24-16/h1-7,21H
- InChIKey
- KATNKWWNYYKIKF-UHFFFAOYSA-N
- LogP
- 4.8078
- TPSA
- 100.05
Names and synonyms
- DTXSID001150020
- 305372-43-4
- alpha-[(4-Chloro-3-nitrophenyl)hydroxymethylene]-2-benzothiazoleacetonitrile
- I+/--[(4-Chloro-3-nitrophenyl)hydroxymethylene]-2-benzothiazoleacetonitrile
- 2-(1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitrophenyl)-3-hydroxyprop-2-enenitrile