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2-{[3-(Biphenyl-4-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-hydra-zinecarbothioamide
SpectraBase Compound ID 37EMyJcPiWQ
InChI InChI=1S/C23H19N5S/c24-23(29)26-25-15-20-16-28(21-9-5-2-6-10-21)27-22(20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-16H,(H3,24,26,29)/b25-15+
InChIKey OQDVWDGJKPVMGO-MFKUBSTISA-N
Mol Weight 397.5 g/mol
Molecular Formula C23H19N5S
Exact Mass 397.136117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JqpEeyqg18w
Name 2-{[3-(Biphenyl-4-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-hydra-zinecarbothioamide
Alternate Name(s) [(E)-[1-phenyl-3-(4-phenylphenyl)-4-pyrazolyl]methylideneamino]thiourea [(E)-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylideneamino]thiourea 1-[(E)-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylideneamino]thiourea
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19N5S
InChI InChI=1S/C23H19N5S/c24-23(29)26-25-15-20-16-28(21-9-5-2-6-10-21)27-22(20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-16H,(H3,24,26,29)/b25-15+
InChIKey OQDVWDGJKPVMGO-MFKUBSTISA-N
Molecular Weight 397.500 g/mol
SMILES N(C(=S)N)\N=C\c1c(n[n](c1)-c1ccccc1)-c1ccc(cc1)-c1ccccc1
SPLASH splash10-0002-0009000000-d81b03944f58e49b2350
Source of Spectrum Y-49-97-3
Wiley ID 1706442