| SpectraBase Spectrum ID |
9V1toHw2Qty |
| Name |
2-(4-Bromobenzyl)-1,1,1-triphenyl-3-[(6-methyl-3-methylthio-5-oxo-1,2,4-triazin-4yl)amino]-4-(6-methyl-3-methylthio-5-oxo-1,2,4-triazin-4yl)-1-phospha-2,4-diazabutadiene |
| Alternate Name(s) |
N-[(1Z)-{[(4-bromophenyl)methyl](triphenyl-phosphanylidene)azaniumyl}({[6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-yl]imino})methyl]-6-methyl-3-(methylsulfanyl)-5-oxo-4,5-dihydro-1,2,4-triazin-4-aminide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H33BrN9O2PS2 |
| InChI |
InChI=1S/C36H33BrN9O2PS2/c1-25-32(47)45(35(50-3)40-38-25)42-34(43-46-33(48)26(2)39-41-36(46)51-4)44(24-27-20-22-28(37)23-21-27)49(29-14-8-5-9-15-29,30-16-10-6-11-17-30)31-18-12-7-13-19-31/h5-23H,24H2,1-4H3 |
| InChIKey |
CWOQQNUIXFJBPB-UHFFFAOYSA-N |
| Molecular Weight |
798.719 g/mol |
| SMILES |
c1(P(=[N+](\C([N-]N2C(C(C)=NN=C2SC)=O)=N/N2C(C(C)=NN=C2SC)=O)Cc2ccc(cc2)Br)(c2ccccc2)c2ccccc2)ccccc1 |
| SPLASH |
splash10-00xr-5910000000-e2cd39327189f9d0068b |
| Source of Spectrum |
KC-1992-208-8 |
| Wiley ID |
776028 |
![2-(4-Bromobenzyl)-1,1,1-triphenyl-3-[(6-methyl-3-methylthio-5-oxo-1,2,4-triazin-4yl)amino]-4-(6-methyl-3-methylthio-5-oxo-1,2,4-triazin-4yl)-1-phospha-2,4-diazabutadiene](/api/spectrum/9V1toHw2Qty/structure.png?h=300&w=458 "2-(4-Bromobenzyl)-1,1,1-triphenyl-3-[(6-methyl-3-methylthio-5-oxo-1,2,4-triazin-4yl)amino]-4-(6-methyl-3-methylthio-5-oxo-1,2,4-triazin-4yl)-1-phospha-2,4-diazabutadiene")
