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1-(3-Cyano-4,5,6,7-tetrahydro-2-benzo[b]thienyl)-3-(3,4-dimethoxycinnamoyl)-2-thiourea
SpectraBase Compound ID 6bEQ8njNIPj
InChI InChI=1S/C21H21N3O3S2/c1-26-16-9-7-13(11-17(16)27-2)8-10-19(25)23-21(28)24-20-15(12-22)14-5-3-4-6-18(14)29-20/h7-11H,3-6H2,1-2H3,(H2,23,24,25,28)/b10-8+
InChIKey UJFCSWMLTAAESH-CSKARUKUSA-N
Mol Weight 427.54 g/mol
Molecular Formula C21H21N3O3S2
Exact Mass 427.102434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnddR01RQah
Name 1-(3-CYANO-4,5,6,7-TETRAHYDRO-2-BENZO[b]THIENYL)-3-(3,4-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H21N3O3S2
InChI InChI=1S/C21H21N3O3S2/c1-26-16-9-7-13(11-17(16)27-2)8-10-19(25)23-21(28)24-20-15(12-22)14-5-3-4-6-18(14)29-20/h7-11H,3-6H2,1-2H3,(H2,23,24,25,28)/b10-8+
InChIKey UJFCSWMLTAAESH-CSKARUKUSA-N
Molecular Weight 427.1020
SMILES N(C(=S)NC(\C=C\c1ccc(OC)c(OC)c1)=O)c1sc2CCCCc2c1C#N
SPLASH splash10-0006-9510000000-d79ceac3f6d98492d29f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany