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2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N'-[(E)-2-pyridinylmethylidene]acetohydrazide
SpectraBase Compound ID L9QYEuLe5CP
InChI InChI=1S/C24H21N5O2S2/c30-20(28-26-14-16-8-6-7-13-25-16)15-32-24-27-22-21(18-11-4-5-12-19(18)33-22)23(31)29(24)17-9-2-1-3-10-17/h1-3,6-10,13-14H,4-5,11-12,15H2,(H,28,30)/b26-14+
InChIKey VSBIKLPLOZCOMV-VULFUBBASA-N
Mol Weight 475.59 g/mol
Molecular Formula C24H21N5O2S2
Exact Mass 475.113667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3EclPU2Vfr
Name 2-[(4-oxo-3-Phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-yl)sulfanyl]-N'-[(E)-2-pyridinylmethylidene]acetohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 475.113667282 u
Formula C24H21N5O2S2
InChI InChI=1S/C24H21N5O2S2/c30-20(28-26-14-16-8-6-7-13-25-16)15-32-24-27-22-21(18-11-4-5-12-19(18)33-22)23(31)29(24)17-9-2-1-3-10-17/h1-3,6-10,13-14H,4-5,11-12,15H2,(H,28,30)/b26-14+
InChIKey VSBIKLPLOZCOMV-VULFUBBASA-N
Molecular Weight 475.585 g/mol
SMILES N(\N=C\C=1N=CC=CC1)C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C1=CC=CC=C1)=O