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3-(5-Amino-3-methylisoxazol-4-yl)-2-(benzo[d]thiazol-2-yl)-3-(4-chlorophenyl) propiononitrile
SpectraBase Compound ID 3zw048anBvr
InChI InChI=1S/C20H15ClN4OS/c1-11-17(19(23)26-25-11)18(12-6-8-13(21)9-7-12)14(10-22)20-24-15-4-2-3-5-16(15)27-20/h2-9,14,18H,23H2,1H3
InChIKey MEGZSSWGXOFDFS-UHFFFAOYSA-N
Mol Weight 394.88 g/mol
Molecular Formula C20H15ClN4OS
Exact Mass 394.06551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IfqHCuCjyY
Name 3-(5-Amino-3-methylisoxazol-4-yl)-2-(benzo[d]thiazol-2-yl)-3-(4-chlorophenyl) propiononitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15ClN4OS
InChI InChI=1S/C20H15ClN4OS/c1-11-17(19(23)26-25-11)18(12-6-8-13(21)9-7-12)14(10-22)20-24-15-4-2-3-5-16(15)27-20/h2-9,14,18H,23H2,1H3
InChIKey MEGZSSWGXOFDFS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201100258
Molecular Weight 394.880 g/mol
SMILES Nc1onc(C)c1C(C(C#N)c1sc2c(n1)cccc2)c1ccc(Cl)cc1
SPLASH splash10-014i-9104000000-c7ebe1acad4da1f45597
Source of Spectrum APC-345-475-30
Synonyms 3-(5-amino-3-methylisoxazol-4-yl)-2-(benzo[d]thiazol-2-yl)-3-(4-chlorophenyl)propanenitrile 3-(5-amino-3-methyl-4-isoxazolyl)-2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)propanenitrile 3-(5-amino-3-methyl-1,2-oxazol-4-yl)-2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)propanenitrile 3-(5-amino-3-methyl-isoxazol-4-yl)-2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)propanenitrile 3-(5-azanyl-3-methyl-1,2-oxazol-4-yl)-2-(1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)propanenitrile
Wiley ID 1769401