SpectraBase Spectrum ID |
K2YC8HVNdLQ |
Name |
17,18-(dimethylmalonyl)-2,9-dithia-17,18-diaza[10.2]metacyclophene |
CAS Registry Number |
121013-03-4 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C25H30N2O2S2 |
InChI |
InChI=1S/C25H30N2O2S2/c1-25(2)23(28)26-14-6-4-3-5-7-15-30-21-12-9-13-22(17-21)31-18-19-10-8-11-20(16-19)27(26)24(25)29/h8-13,16-17H,3-7,14-15,18H2,1-2H3 |
InChIKey |
HZVZQRRZDYKIER-UHFFFAOYSA-N |
Molecular Weight |
454.647 g/mol |
SMILES |
C1(N2N(C(C1(C)C)=O)c1cc(CSc3cc(SCCCCCCC2)ccc3)ccc1)=O |
SPLASH |
splash10-0a4i-7430900000-0825e998ca366f91ad8f |
Source of Spectrum |
K-122-1933-4 |
Synonyms |
4,4-Dimethyl-14,20-dithia-2,6-diazatetracyclo[20.3.1.1(15,19).0(2,6)]heptacosa-1(26),15(27),16,18,22,24-hexaene-3,5-dione |
Wiley ID |
1388766 |