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(E)-2-cyano-3-(4-cyanophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-propenamide

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(E)-2-cyano-3-(4-cyanophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-propenamide
SpectraBase Compound ID L2Mvjgum4wS
InChI InChI=1S/C19H12N4O2S/c1-25-15-6-7-16-17(9-15)26-19(22-16)23-18(24)14(11-21)8-12-2-4-13(10-20)5-3-12/h2-9H,1H3,(H,22,23,24)/b14-8+
InChIKey GKTOHFQSSSHZNB-RIYZIHGNSA-N
Mol Weight 360.39 g/mol
Molecular Formula C19H12N4O2S
Exact Mass 360.068097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDCtf4UKfrD
Name (E)-2-Cyano-3-(4-cyanophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-propenamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.068096814 u
Formula C19H12N4O2S
InChI InChI=1S/C19H12N4O2S/c1-25-15-6-7-16-17(9-15)26-19(22-16)23-18(24)14(11-21)8-12-2-4-13(10-20)5-3-12/h2-9H,1H3,(H,22,23,24)/b14-8+
InChIKey GKTOHFQSSSHZNB-RIYZIHGNSA-N
Molecular Weight 360.391 g/mol
SMILES C1(=NC2=CC=C(C=C2S1)OC)NC(\C(=C\C=1C=CC(C#N)=CC1)C#N)=O