| SpectraBase Spectrum ID |
DizXXnwb5yq |
| Name |
4-Methyl-2-(1-methyl-4-nitropyrrole-2-carboxamido)-thiazole-5-carboxamidopropionitrile |
| Alternate Name(s) |
N-{5-[(3-cyanopropanoyl)amino]-4-methyl-1,3-thiazol-2-yl}-1-methyl-4-nitro-1H-pyrrole-2-carboxamide |
| CAS Registry Number |
123724-85-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H14N6O4S |
| InChI |
InChI=1S/C14H14N6O4S/c1-8-13(17-11(21)4-3-5-15)25-14(16-8)18-12(22)10-6-9(20(23)24)7-19(10)2/h6-7H,3-4H2,1-2H3,(H,17,21)(H,16,18,22) |
| InChIKey |
XPDHZKQKFDYSNS-UHFFFAOYSA-N |
| Molecular Weight |
362.364 g/mol |
| SMILES |
N(c1sc(c(n1)C)NC(=O)CCC#N)C(c1cc(N(=O)=O)c[n]1C)=O |
| SPLASH |
splash10-0udi-0901000000-8a9483437b0232e590c7 |
| Source of Spectrum |
J-55-734-13 |
| Wiley ID |
1349250 |
