| SpectraBase Spectrum ID |
EB3b1yvhtZ4 |
| Name |
Thioxoandrosta-1,4-diene-17-one thiosemicarbazone |
| Alternate Name(s) |
3-thioxoandrosta-1,4-dien-17-one thiosemicarbazone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H27N3S2 |
| InChI |
InChI=1S/C20H27N3S2/c1-19-9-7-13(24)11-12(19)3-4-14-15-5-6-17(22-23-18(21)25)20(15,2)10-8-16(14)19/h7,9,11,14-16H,3-6,8,10H2,1-2H3,(H3,21,23,25)/b22-17+/t14-,15-,16-,19-,20-/m0/s1 |
| InChIKey |
KUXVSEKHNQZOQS-WCUZUUEFSA-N |
| Molecular Weight |
373.577 g/mol |
| SMILES |
N(\N=C/1CC[C@]2([C@@]3(CCC4=CC(C=C[C@@]4([C@]3(CC[C@]12C)[H])C)=S)[H])[H])C(=S)N |
| SPLASH |
splash10-05fr-0009000000-cea2c26c94c117007329 |
| Source of Spectrum |
SO-0-1246-7 |
| Wiley ID |
1545914 |
