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6-[N-(Benzoylthiocyanato)amino]-4-(p-methoxyphenyl)-5-cyano-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole
SpectraBase Compound ID C2VXTsor4vn
InChI InChI=1S/C29H23N5O3S/c1-18-24-25(19-13-15-22(36-2)16-14-19)23(17-30)27(32-29(38)31-26(35)20-9-5-3-6-10-20)37-28(24)34(33-18)21-11-7-4-8-12-21/h3-16,25H,1-2H3,(H2,31,32,35,38)
InChIKey XFOAHLQEFHRWOK-UHFFFAOYSA-N
Mol Weight 521.6 g/mol
Molecular Formula C29H23N5O3S
Exact Mass 521.152161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rhwpeRBLUU
Name 6-[N-(Benzoylthiocyanato)amino]-4-(p-methoxyphenyl)-5-cyano-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H23N5O3S
InChI InChI=1S/C29H23N5O3S/c1-18-24-25(19-13-15-22(36-2)16-14-19)23(17-30)27(32-29(38)31-26(35)20-9-5-3-6-10-20)37-28(24)34(33-18)21-11-7-4-8-12-21/h3-16,25H,1-2H3,(H2,31,32,35,38)
InChIKey XFOAHLQEFHRWOK-UHFFFAOYSA-N
Molecular Weight 521.595 g/mol
SMILES N(C=1Oc2c(C(c3ccc(cc3)OC)C1C#N)c(C)n[n]2-c1ccccc1)C(NC(=O)c1ccccc1)=S
SPLASH splash10-002f-6209200000-d6060852aa7c3e7110d7
Source of Spectrum Y5-64-18-17
Synonyms N-benzoyl-N'-[5-cyano-4-(4-methoxyphenyl)-3-methyl-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazol-6-yl]thiourea
Wiley ID 879437