basic_info |
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| Product_Name: | 3-(METHYLSULFANYL)-6-(6-NITRO-1,3-BENZODIOXOL-5-YL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE |
| EnglishSynonyms: | 3-(METHYLSULFANYL)-6-(6-NITRO-1,3-BENZODIOXOL-5-YL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE |
| pro_mdlNumber: | MFCD00683600 |
| pro_acceptors: | 10 |
| pro_donors: | 1 |
| pro_smile: | CSc1nc2c(nn1)-c3ccccc3NC(O2)c4cc5c(cc4[N+](=O)[O-])OCO5 |
| InChi: | InChI=1S/C18H13N5O5S/c1-29-18-20-17-15(21-22-18)9-4-2-3-5-11(9)19-16(28-17)10-6-13-14(27-8-26-13)7-12(10)23(24)25/h2-7,16,19H,8H2,1H3 |
| InChiKey: | InChIKey=DSVXTKLQOCLXHI-UHFFFAOYSA-N |
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