| SpectraBase Spectrum ID |
5ahzMLQAckl |
| Name |
1-Cyclohexyl-3-hydroxy-4-(3-nitrophenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20N4O4S |
| InChI |
InChI=1S/C18H20N4O4S/c23-14-10-27-16(11-5-4-8-13(9-11)22(25)26)15-17(19-14)21(20-18(15)24)12-6-2-1-3-7-12/h4-5,8-9,12,16H,1-3,6-7,10H2,(H,19,23)(H,20,24) |
| InChIKey |
HICMTOVVJSFNBN-UHFFFAOYSA-N |
| Molecular Weight |
388.442 g/mol |
| SMILES |
Oc1c2c([n](n1)C1CCCCC1)NC(CSC2c1cc(N(=O)=O)ccc1)=O |
| SPLASH |
splash10-0aou-9561000000-b1607d60acd4600d244e |
| Synonyms |
1-cyclohexyl-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-dione
1-cyclohexyl-4-(3-nitrophenyl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepine-3,7-quinone |
| Wiley ID |
1443313 |
![1-Cyclohexyl-3-hydroxy-4-(3-nitrophenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one](/api/spectrum/5ahzMLQAckl/structure.png?h=300&w=458 "1-Cyclohexyl-3-hydroxy-4-(3-nitrophenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one")
