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3-(4-Allyl-3-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile
SpectraBase Compound ID 5jgDiB36okb
InChI InChI=1S/C14H14N4S/c1-2-10-17-13(12-7-4-3-5-8-12)16-18(14(17)19)11-6-9-15/h2-5,7-8H,1,6,10-11H2
InChIKey KXDYDNWVFZVDPC-UHFFFAOYSA-N
Mol Weight 270.35 g/mol
Molecular Formula C14H14N4S
Exact Mass 270.093918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlbM7uKHzb9
Name 3-(4-Allyl-3-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)propanenitrile
Alternate Name(s) 3-(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)propanenitrile 3-(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)propanenitrile 3-(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)propionitrile Propionitrile, 3-(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)-
CAS Registry Number 54559-50-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N4S
InChI InChI=1S/C14H14N4S/c1-2-10-17-13(12-7-4-3-5-8-12)16-18(14(17)19)11-6-9-15/h2-5,7-8H,1,6,10-11H2
InChIKey KXDYDNWVFZVDPC-UHFFFAOYSA-N
Molecular Weight 270.354 g/mol
SMILES c1ccc(C=2N(C(N(CCC#N)N2)=S)CC=C)cc1
SPLASH splash10-0udu-9430000000-78c3a0df79a7424268c5
Source of Spectrum AD-0-2532-0
Wiley ID 1420565