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1-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]-2,3-dimethyl-1H-indole

View entire compound with spectra: 2 NMR

1-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]-2,3-dimethyl-1H-indole
SpectraBase Compound ID IYCw8rcboTE
InChI InChI=1S/C21H18ClN3OS3/c1-13-14(2)25(18-6-4-3-5-17(13)18)19(26)12-28-21-24-23-20(29-21)27-11-15-7-9-16(22)10-8-15/h3-10H,11-12H2,1-2H3
InChIKey DWWXTPSVDRLHRB-UHFFFAOYSA-N
Mol Weight 460.03 g/mol
Molecular Formula C21H18ClN3OS3
Exact Mass 459.030053 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7ii656bLYd
Name 1-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]-2,3-dimethyl-1H-indole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 459.030053433 u
Formula C21H18ClN3OS3
InChI InChI=1S/C21H18ClN3OS3/c1-13-14(2)25(18-6-4-3-5-17(13)18)19(26)12-28-21-24-23-20(29-21)27-11-15-7-9-16(22)10-8-15/h3-10H,11-12H2,1-2H3
InChIKey DWWXTPSVDRLHRB-UHFFFAOYSA-N
Molecular Weight 460.028 g/mol
SMILES C=1C=CC=2N(C(=C(C)C2C1)C)C(CSC=1SC(SCC2=CC=C(C=C2)Cl)=NN1)=O