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5,5-Dimethyl-3-[(5-(phenylamino)-1,3,4-thiadiazol-2-ylmethyl)amino]cyclohex-2-enone
SpectraBase Compound ID 41FdFfVT3rK
InChI InChI=1S/C17H20N4OS/c1-17(2)9-13(8-14(22)10-17)18-11-15-20-21-16(23-15)19-12-6-4-3-5-7-12/h3-8,18H,9-11H2,1-2H3,(H,19,21)
InChIKey QPUNXGXFJZOTSY-UHFFFAOYSA-N
Mol Weight 328.43 g/mol
Molecular Formula C17H20N4OS
Exact Mass 328.135782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AoIN2mPQWdx
Name 5,5-Dimethyl-3-[(5-(phenylamino)-1,3,4-thiadiazol-2-ylmethyl)amino]cyclohex-2-enone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N4OS
InChI InChI=1S/C17H20N4OS/c1-17(2)9-13(8-14(22)10-17)18-11-15-20-21-16(23-15)19-12-6-4-3-5-7-12/h3-8,18H,9-11H2,1-2H3,(H,19,21)
InChIKey QPUNXGXFJZOTSY-UHFFFAOYSA-N
Molecular Weight 328.434 g/mol
SMILES N(C1=CC(=O)CC(C1)(C)C)Cc1sc(nn1)Nc1ccccc1
SPLASH splash10-004i-7906000000-93b6a4af8054fe9f9168
Source of Spectrum F2-44-3685-18
Synonyms 3-[(5-anilino-1,3,4-thiadiazol-2-yl)methylamino]-5,5-dimethyl-1-cyclohex-2-enone 3-[(5-anilino-1,3,4-thiadiazol-2-yl)methylamino]-5,5-dimethylcyclohex-2-en-1-one 5,5-Dimethyl-3-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)methylamino]cyclohex-2-en-1-one
Wiley ID 1705932