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2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide

View entire compound with spectra: 2 NMR

2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
SpectraBase Compound ID 2h2dp0B2KTT
InChI InChI=1S/C25H25N5O2S2/c1-16-9-11-17(12-10-16)30-24(32)22-19-7-3-4-8-20(19)34-23(22)27-25(30)33-15-21(31)28-26-14-18-6-5-13-29(18)2/h5-6,9-14H,3-4,7-8,15H2,1-2H3,(H,28,31)/b26-14+
InChIKey YTNKMPRHSZNCBY-VULFUBBASA-N
Mol Weight 491.63 g/mol
Molecular Formula C25H25N5O2S2
Exact Mass 491.144967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EhpSejpAgJb
Name 2-{[3-(4-Methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 491.144967411 u
Formula C25H25N5O2S2
InChI InChI=1S/C25H25N5O2S2/c1-16-9-11-17(12-10-16)30-24(32)22-19-7-3-4-8-20(19)34-23(22)27-25(30)33-15-21(31)28-26-14-18-6-5-13-29(18)2/h5-6,9-14H,3-4,7-8,15H2,1-2H3,(H,28,31)/b26-14+
InChIKey YTNKMPRHSZNCBY-VULFUBBASA-N
Molecular Weight 491.628 g/mol
SMILES N(\N=C\C=1N(C=CC1)C)C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C=1C=CC(=CC1)C)=O