Molecular Structure:
CCD No.:CCD00156085
OTAVA-BB 1219468
Formula:C13H12ClNO2S2
MolWeight:313.828
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| Product Name： | OTAVA-BB 1219468 |
| English Synonyms： | OTAVA-BB 1219468 |
| MDL Number.： | MFCD00704765 |
| H bond acceptor： | 3 |
| H bond donor： | 1 |
| Smile： | OCCCN1C(=S)S\C(=C/C2=CC=C(Cl)C=C2)C1=O |
| InChi： | InChI=1S/C13H12ClNO2S2/c14-10-4-2-9(3-5-10)8-11-12(17)15(6-1-7-16)13(18)19-11/h2-5,8,16H,1,6-7H2/b11-8- |
| InChiKey： | InChIKey=OFFRYFUHFNUTMC-FLIBITNWSA-N |
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