SpectraBase Spectrum ID |
AziTIOOMgdM |
Name |
3-Nitro-4-[(2,4,4-trimethylpentan-2-yl)amino]-2H-thiochromen-2-one |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C17H22N2O3S |
InChI |
InChI=1S/C17H22N2O3S/c1-16(2,3)10-17(4,5)18-13-11-8-6-7-9-12(11)23-15(20)14(13)19(21)22/h6-9,18H,10H2,1-5H3 |
InChIKey |
CDHBPCMYZCMSBN-UHFFFAOYSA-N |
Molecular Weight |
334.434 g/mol |
SMILES |
N(C=1c2ccccc2SC(=O)C1N(=O)=O)C(CC(C)(C)C)(C)C |
SPLASH |
splash10-0a4l-9400000000-b50384e6042c89534791 |
Source of Spectrum |
IY-2-5204-2 |
Synonyms |
3-Nitro-4-(2,4,4-trimethylpentan-2-ylamino)-1-benzothiopyran-2-one
3-Nitro-4-(2,4,4-trimethylpentan-2-ylamino)thiochromen-2-one |
Wiley ID |
1660025 |