For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-Acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-3-pyridinecarbonitrile
SpectraBase Compound ID GVd8WIJcimA
InChI InChI=1S/C18H17ClN2OS/c1-4-9-18(10-20)16(13-5-7-14(19)8-6-13)15(12(3)22)11(2)21-17(18)23/h4-8,16H,1,9H2,2-3H3,(H,21,23)
InChIKey RAACWZDSRFHLJL-UHFFFAOYSA-N
Mol Weight 344.86 g/mol
Molecular Formula C18H17ClN2OS
Exact Mass 344.075012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4RUTvYxp678
Name 5-Acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-3-pyridinecarbonitrile
CAS Registry Number 132351-37-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17ClN2OS
InChI InChI=1S/C18H17ClN2OS/c1-4-9-18(10-20)16(13-5-7-14(19)8-6-13)15(12(3)22)11(2)21-17(18)23/h4-8,16H,1,9H2,2-3H3,(H,21,23)
InChIKey RAACWZDSRFHLJL-UHFFFAOYSA-N
Molecular Weight 344.860 g/mol
SMILES N1C(=C(C(C(C1=S)(C#N)CC=C)c1ccc(cc1)Cl)C(C)=O)C
SPLASH splash10-0006-9311000000-70067008f4d2e1531249
Source of Spectrum AD-0-2532-0
Synonyms 1,2,3,4-Tetrahydropyridine-3-carbonitrile, 5-acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo- 4-(4-Chlorophenyl)-5-ethanoyl-6-methyl-3-prop-2-enyl-2-sulfanylidene-1,4-dihydropyridine-3-carbonitrile 5-Acetyl-3-allyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,4-dihydropyridine-3-carbonitrile 5-Acetyl-4-(4-chlorophenyl)-6-methyl-3-prop-2-enyl-2-sulfanylidene-1,4-dihydropyridine-3-carbonitrile
Wiley ID 1426306