| SpectraBase Spectrum ID |
B32t1ZvfDYv |
| Name |
2-{[7-Chloro-4-oxo-3-(1,1-dimethylethyl)-3H-4,5-dihydro-1,3-benzodiazepin-2-yl]sulfanyl}acetonitrile |
| Alternate Name(s) |
2-[(3-tert-butyl-7-chloro-4-oxo-5H-1,3-benzodiazepin-2-yl)thio]acetonitrile
2-[(3-tert-butyl-7-chloro-4-oxo-5H-1,3-benzodiazepin-2-yl)sulfanyl]acetonitrile
2-[(3-tert-butyl-7-chloranyl-4-oxidanylidene-5H-1,3-benzodiazepin-2-yl)sulfanyl]ethanenitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H16ClN3OS |
| InChI |
InChI=1S/C15H16ClN3OS/c1-15(2,3)19-13(20)9-10-8-11(16)4-5-12(10)18-14(19)21-7-6-17/h4-5,8H,7,9H2,1-3H3 |
| InChIKey |
LJLZJKDOSLKLIR-UHFFFAOYSA-N |
| Molecular Weight |
321.826 g/mol |
| SMILES |
C=1(N(C(Cc2cc(ccc2N1)Cl)=O)C(C)(C)C)SCC#N |
| SPLASH |
splash10-00xr-0069000000-67064a1fe903f54deb27 |
| Source of Spectrum |
F4-42-291-4f |
| Wiley ID |
1711842 |
![2-{[7-Chloro-4-oxo-3-(1,1-dimethylethyl)-3H-4,5-dihydro-1,3-benzodiazepin-2-yl]sulfanyl}acetonitrile](/api/spectrum/B32t1ZvfDYv/structure.png?h=300&w=458 "2-{[7-Chloro-4-oxo-3-(1,1-dimethylethyl)-3H-4,5-dihydro-1,3-benzodiazepin-2-yl]sulfanyl}acetonitrile")
