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1-(Diethylcarbamoyl)-2-(1,3-dithia-2-yl)-3-(1-hydroxy-4-pyridylmethyl)indole
SpectraBase Compound ID Jrpfe9vEA22
InChI InChI=1S/C23H27N3O2S2/c1-3-24(4-2)23(27)26-20-9-6-5-8-18(20)19(16-17-10-12-25(28)13-11-17)21(26)22-29-14-7-15-30-22/h5-6,8-13,22H,3-4,7,14-16H2,1-2H3
InChIKey MCZTVVUMJSQEHN-UHFFFAOYSA-N
Mol Weight 441.61 g/mol
Molecular Formula C23H27N3O2S2
Exact Mass 441.154469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HGKWPUEsjV
Name 1-(Diethylcarbamoyl)-2-(1,3-dithia-2-yl)-3-(1-hydroxy-4-pyridylmethyl)indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27N3O2S2
InChI InChI=1S/C23H27N3O2S2/c1-3-24(4-2)23(27)26-20-9-6-5-8-18(20)19(16-17-10-12-25(28)13-11-17)21(26)22-29-14-7-15-30-22/h5-6,8-13,22H,3-4,7,14-16H2,1-2H3
InChIKey MCZTVVUMJSQEHN-UHFFFAOYSA-N
Molecular Weight 441.608 g/mol
SMILES c1([n](c2c(c1Cc1cc[n+](cc1)[O-])cccc2)C(N(CC)CC)=O)C1SCCCS1
SPLASH splash10-0fb9-0904100000-69384fc0a90ad1c50f36
Source of Spectrum F-47-7919-16
Synonyms 2-(1,3-dithian-2-yl)-N,N-diethyl-3-[(1-oxido-4-pyridinyl)methyl]-1H-indole-1-carboxamide
Wiley ID 1385053