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1-[1-(4-chlorophenyl)-2-methyl-5-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-3-indolyl]ethanone
SpectraBase Compound ID Jn5WmgsnEWB
InChI InChI=1S/C26H21ClN4O2S/c1-16-25(17(2)32)22-14-21(12-13-23(22)30(16)20-10-8-18(27)9-11-20)33-15-24-28-29-26(34)31(24)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,29,34)
InChIKey ADOLYKRPBYMINB-UHFFFAOYSA-N
Mol Weight 488.99 g/mol
Molecular Formula C26H21ClN4O2S
Exact Mass 488.107375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9aK9t0af3E
Name 1-[1-(4-chlorophenyl)-2-methyl-5-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-3-indolyl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21ClN4O2S
InChI InChI=1S/C26H21ClN4O2S/c1-16-25(17(2)32)22-14-21(12-13-23(22)30(16)20-10-8-18(27)9-11-20)33-15-24-28-29-26(34)31(24)19-6-4-3-5-7-19/h3-14H,15H2,1-2H3,(H,29,34)
InChIKey ADOLYKRPBYMINB-UHFFFAOYSA-N
Molecular Weight 488.993 g/mol
SMILES Sc1[n](c(COc2ccc3[n](c(c(C(=O)C)c3c2)C)-c2ccc(cc2)Cl)nn1)-c1ccccc1
SPLASH splash10-001i-0090000000-96920069bbfb09dc126a
Source of Spectrum Y1-33-550-10
Synonyms 1-[1-(4-chlorophenyl)-2-methyl-5-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]indol-3-yl]ethanone 1-[1-(4-chlorophenyl)-2-methyl-5-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methoxy]indol-3-yl]ethanone
Wiley ID 1526292