| SpectraBase Spectrum ID |
LXMcOApA832 |
| Name |
2,3-Dihydro-2-(3-methyl-1-phenyl-5-phenylthio-1H-pyrazol-4-yl)-4-phenyl-1,5-benzothiazepine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H25N3S2 |
| InChI |
InChI=1S/C31H25N3S2/c1-22-30(31(35-25-17-9-4-10-18-25)34(33-22)24-15-7-3-8-16-24)29-21-27(23-13-5-2-6-14-23)32-26-19-11-12-20-28(26)36-29/h2-20,29H,21H2,1H3 |
| InChIKey |
XTTLHYGYXALDJQ-UHFFFAOYSA-N |
| Molecular Weight |
503.682 g/mol |
| SMILES |
c1(c(c(C)n[n]1-c1ccccc1)C1Sc2c(cccc2)N=C(C1)c1ccccc1)Sc1ccccc1 |
| SPLASH |
splash10-0006-0090000000-e4d8a61094c43acd91af |
| Source of Spectrum |
Y-48-109-2'a |
| Synonyms |
2-[3-methyl-1-phenyl-5-(phenylthio)-4-pyrazolyl]-4-phenyl-2,3-dihydro-1,5-benzothiazepine
2-(3-methyl-1-phenyl-5-phenylsulfanylpyrazol-4-yl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
2-(3-methyl-1-phenyl-5-phenylsulfanyl-pyrazol-4-yl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine |
| Wiley ID |
1667464 |
