| SpectraBase Spectrum ID |
LJ4nQefDt1X |
| Name |
S-(3"-Oxapentamethylene)-N-[1'-cyano-2'-(p-nitrophenyl)-1'-azavin-2'-yl]sulfimide |
| Alternate Name(s) |
N'-cyano-4-nitro-N-[(3E)-1,3lambda(4)-oxathian-3-ylidene]benzenecarboximidamide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12N4O3S |
| InChI |
InChI=1S/C12H12N4O3S/c13-8-14-12(15-20-7-1-6-19-9-20)10-2-4-11(5-3-10)16(17)18/h2-5H,1,6-7,9H2/b14-12+ |
| InChIKey |
MLCGZVYFPOARDS-WYMLVPIESA-N |
| Molecular Weight |
292.313 g/mol |
| SMILES |
c1(\C(N=S2CCCOC2)=N/C#N)ccc(cc1)N(=O)=O |
| SPLASH |
splash10-0udi-0950000000-3217d13045b570be9b18 |
| Source of Spectrum |
D8-326-270-8 |
| Wiley ID |
1514782 |
![S-(3"-Oxapentamethylene)-N-[1'-cyano-2'-(p-nitrophenyl)-1'-azavin-2'-yl]sulfimide](/api/spectrum/LJ4nQefDt1X/structure.png?h=300&w=458 "S-(3\"-Oxapentamethylene)-N-[1'-cyano-2'-(p-nitrophenyl)-1'-azavin-2'-yl]sulfimide")
