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1-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(4-fluorocinnamoyl)-2-thiourea
SpectraBase Compound ID 68suedH8k3m
InChI InChI=1S/C19H16FN3OS2/c20-13-8-5-12(6-9-13)7-10-17(24)22-19(25)23-18-15(11-21)14-3-1-2-4-16(14)26-18/h5-10H,1-4H2,(H2,22,23,24,25)/b10-7+
InChIKey SWVPTNPCDRZFLE-JXMROGBWSA-N
Mol Weight 385.48 g/mol
Molecular Formula C19H16FN3OS2
Exact Mass 385.071883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeNv4mAwzKt
Name 1-(3-CYANO-4,5,6,7-TETRAHYDROBENZO[b]THIOPHEN-2-YL)-3-(4-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H16FN3OS2
InChI InChI=1S/C19H16FN3OS2/c20-13-8-5-12(6-9-13)7-10-17(24)22-19(25)23-18-15(11-21)14-3-1-2-4-16(14)26-18/h5-10H,1-4H2,(H2,22,23,24,25)/b10-7+
InChIKey SWVPTNPCDRZFLE-JXMROGBWSA-N
Molecular Weight 385.0716
SMILES N(C(NC(\C=C\c1ccc(F)cc1)=O)=S)c1sc2CCCCc2c1C#N
SPLASH splash10-0fdk-7910000000-9c4a85bf6887ff835b15
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany