| SpectraBase Compound ID | 9d9ntIiFdqY |
|---|---|
| InChI | InChI=1S/C16H13ClN4S/c1-2-10-7-12-15(11-5-3-4-6-13(11)17)18-8-14-20-19-9-21(14)16(12)22-10/h3-7,9H,2,8H2,1H3 |
| InChIKey | NQSSWDKQLVBUQN-UHFFFAOYSA-N |
| Mol Weight | 328.82 g/mol |
| Molecular Formula | C16H13ClN4S |
| Exact Mass | 328.054945 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Hf2ivnq4jiI |
|---|---|
| Name | Metizolam |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H13ClN4S |
| InChI | InChI=1S/C16H13ClN4S/c1-2-10-7-12-15(11-5-3-4-6-13(11)17)18-8-14-20-19-9-21(14)16(12)22-10/h3-7,9H,2,8H2,1H3 |
| InChIKey | NQSSWDKQLVBUQN-UHFFFAOYSA-N |
| Molecular Weight | 328.821 g/mol |
| SMILES | c12[n](-c3c(C(=NC2)c2ccccc2Cl)cc(s3)CC)cnn1 |
| SPLASH | splash10-004i-4896000000-378ef015bbd3c08eca5b |
| Source of Spectrum | SWG-33-4765-0 |
| Synonyms | 7-(2-Chlorophenyl)-4-ethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.02,6]trideca-2(6),4,7, 10,12-pentaene Desmethyletizolam 4-(2-Chlorophenyl)-2-ethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a] [1,4]diazepine 4-(2-Chlorophenyl)-2-ethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine |
| Wiley ID | 1811358 |