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2-[5'-Acetyl-3'-(p-chlorophenyl)-1',3',4'-thiadiazol-2'(3H)-ylidene]-3-oxo-3-(piperidin-1"-yl)-propane-1-nitrile
SpectraBase Compound ID 5uD2mwsogc4
InChI InChI=1S/C18H17ClN4O2S/c1-12(24)16-21-23(14-7-5-13(19)6-8-14)18(26-16)15(11-20)17(25)22-9-3-2-4-10-22/h5-8H,2-4,9-10H2,1H3/b18-15+
InChIKey NWBPNIMKTWQUMA-OBGWFSINSA-N
Mol Weight 388.87 g/mol
Molecular Formula C18H17ClN4O2S
Exact Mass 388.076075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FaaFM5SehxK
Name 2-[5'-Acetyl-3'-(p-chlorophenyl)-1',3',4'-thiadiazol-2'(3H)-ylidene]-3-oxo-3-(piperidin-1"-yl)-propane-1-nitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17ClN4O2S
InChI InChI=1S/C18H17ClN4O2S/c1-12(24)16-21-23(14-7-5-13(19)6-8-14)18(26-16)15(11-20)17(25)22-9-3-2-4-10-22/h5-8H,2-4,9-10H2,1H3/b18-15+
InChIKey NWBPNIMKTWQUMA-OBGWFSINSA-N
Molecular Weight 388.873 g/mol
SMILES C1(=NN(\C(S1)=C/(C(N1CCCCC1)=O)C#N)c1ccc(cc1)Cl)C(=O)C
SPLASH splash10-000i-0019000000-ca7021fe2343d825e943
Source of Spectrum AH-140-436-15c
Synonyms (2E)-2-[5-acetyl-3-(4-chlorophenyl)-1,3,4-thiadiazol-2-ylidene]-3-oxo-3-(1-piperidinyl)propanenitrile (2E)-2-[5-acetyl-3-(4-chlorophenyl)-1,3,4-thiadiazol-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile (2E)-2-[5-acetyl-3-(4-chlorophenyl)-1,3,4-thiadiazol-2-ylidene]-3-oxo-3-(1-piperidyl)propanenitrile (2E)-2-[3-(4-chlorophenyl)-5-ethanoyl-1,3,4-thiadiazol-2-ylidene]-3-oxidanylidene-3-piperidin-1-yl-propanenitrile
Wiley ID 1696145