| SpectraBase Spectrum ID |
qgcHp3HW81 |
| Name |
2-(4-Acetylthiophenylethynyl)-4-nitro-5-phenylethynylaniline |
| Alternate Name(s) |
ethanethioic acid S-[4-[2-[2-amino-5-nitro-4-(2-phenylethynyl)phenyl]ethynyl]phenyl]ester
S-(4-{2-[2-amino-5-nitro-4-(phenylethynyl)phenyl]ethynyl}phenyl) ethanethioate
S-[4-[2-[2-amino-5-nitro-4-(2-phenylethynyl)phenyl]ethynyl]phenyl]ethanethioate
S-[4-[2-[2-azanyl-5-nitro-4-(2-phenylethynyl)phenyl]ethynyl]phenyl]ethanethioate
S-[4-[2-[2-amino-5-nitro-4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ethanethioate
S-[4-[2-[2-azanyl-5-nitro-4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ethanethioate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H16N2O3S |
| InChI |
InChI=1S/C24H16N2O3S/c1-17(27)30-22-13-9-19(10-14-22)7-11-20-16-24(26(28)29)21(15-23(20)25)12-8-18-5-3-2-4-6-18/h2-6,9-10,13-16H,25H2,1H3 |
| InChIKey |
QIANDBGMWAOTLV-UHFFFAOYSA-N |
| Molecular Weight |
412.463 g/mol |
| SMILES |
Nc1c(cc(c(c1)C#Cc1ccccc1)N(=O)=O)C#Cc1ccc(cc1)SC(=O)C |
| SPLASH |
splash10-01ox-9000500000-3b93d2e5c69ed112953b |
| Source of Spectrum |
C5-2003-2094-11 |
| Wiley ID |
1616001 |
