| SpectraBase Spectrum ID |
Iq3T0GtRHWB |
| Name |
2,3-Dihydro-2-(3-methyl-1-phenyl-5-phenylthio-1H-pyrazol-4-yl)-4-(4-methoxyphenyl)-1,5-benzothiazepine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H27N3OS2 |
| InChI |
InChI=1S/C32H27N3OS2/c1-22-31(32(37-26-13-7-4-8-14-26)35(34-22)24-11-5-3-6-12-24)30-21-28(23-17-19-25(36-2)20-18-23)33-27-15-9-10-16-29(27)38-30/h3-20,30H,21H2,1-2H3 |
| InChIKey |
FCDJVVIKAHCWEF-UHFFFAOYSA-N |
| Molecular Weight |
533.708 g/mol |
| SMILES |
c1(c(c(C)n[n]1-c1ccccc1)C1Sc2c(cccc2)N=C(C1)c1ccc(cc1)OC)Sc1ccccc1 |
| SPLASH |
splash10-0006-0090000000-e4d8a61094c43acd91af |
| Source of Spectrum |
Y-48-109-2'c |
| Synonyms |
4-(4-methoxyphenyl)-2-[3-methyl-1-phenyl-5-(phenylthio)-4-pyrazolyl]-2,3-dihydro-1,5-benzothiazepine
4-(4-methoxyphenyl)-2-(3-methyl-1-phenyl-5-phenylsulfanylpyrazol-4-yl)-2,3-dihydro-1,5-benzothiazepine
4-(4-methoxyphenyl)-2-(3-methyl-1-phenyl-5-phenylsulfanyl-pyrazol-4-yl)-2,3-dihydro-1,5-benzothiazepine |
| Wiley ID |
1667462 |
