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(Z)-2'-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino]-5'-(4-chlorobenzylidene)thiazolidin-4-one
SpectraBase Compound ID KZ1iwTxQBjn
InChI InChI=1S/C20H16ClN5OS/c1-12-17(18(22)26(25-12)15-5-3-2-4-6-15)23-20-24-19(27)16(28-20)11-13-7-9-14(21)10-8-13/h2-11H,22H2,1H3,(H,23,24,27)/b16-11-
InChIKey SEDFRWOTOQMXGK-WJDWOHSUSA-N
Mol Weight 409.9 g/mol
Molecular Formula C20H16ClN5OS
Exact Mass 409.076409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fz18dBCJEFt
Name (Z)-2'-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)imino]-5'-(4-chlorobenzylidene)thiazolidin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.076409028 u
Formula C20H16ClN5OS
InChI InChI=1S/C20H16ClN5OS/c1-12-17(18(22)26(25-12)15-5-3-2-4-6-15)23-20-24-19(27)16(28-20)11-13-7-9-14(21)10-8-13/h2-11H,22H2,1H3,(H,23,24,27)/b16-11-
InChIKey SEDFRWOTOQMXGK-WJDWOHSUSA-N
Molecular Weight 409.895 g/mol
SMILES C1(=C(N(C=2C=CC=CC2)N=C1C)N)\N=C/1NC(=O)\C(S1)=C\C=1C=CC(=CC1)Cl