3-[5'-(Benzofuran-2'-yl)-1'-phenyl-1H-pyrazol-3'-yl]-4-[(2"-chloro-4"-nitrobenzylidene)amino]-1H-(1,2,4)-triazole-5(4H)-thione

SpectraBase Compound ID	FM7YT0ROkjx
InChI	InChI=1S/C26H16ClN7O3S/c27-20-13-19(34(35)36)11-10-17(20)15-28-33-25(29-30-26(33)38)21-14-22(32(31-21)18-7-2-1-3-8-18)24-12-16-6-4-5-9-23(16)37-24/h1-15H,(H,30,38)/b28-15+
InChIKey	PVAZQGACYFMUQX-RWPZCVJISA-N Google Search
Mol Weight	541.97 g/mol
Molecular Formula	C26H16ClN7O3S
Exact Mass	541.072386 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	A2HSzQXYCgY
Name	3-[5'-(Benzofuran-2'-yl)-1'-phenyl-1H-pyrazol-3'-yl]-4-[(2"-chloro-4"-nitrobenzylidene)amino]-1H-(1,2,4)-triazole-5(4H)-thione
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H16ClN7O3S
InChI	InChI=1S/C26H16ClN7O3S/c27-20-13-19(34(35)36)11-10-17(20)15-28-33-25(29-30-26(33)38)21-14-22(32(31-21)18-7-2-1-3-8-18)24-12-16-6-4-5-9-23(16)37-24/h1-15H,(H,30,38)/b28-15+
InChIKey	PVAZQGACYFMUQX-RWPZCVJISA-N
Molecular Weight	541.973 g/mol
SMILES	N1C(N(C(=N1)c1n[n](-c2ccccc2)c(c1)-c1oc2ccccc2c1)\N=C\c1c(cc(N(=O)=O)cc1)Cl)=S
SPLASH	splash10-002f-8000090000-79694969375c62512457
Source of Spectrum	AH-140-604-10
Synonyms	3-[5-(2-benzofuranyl)-1-phenyl-3-pyrazolyl]-4-[(E)-(2-chloro-4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione 3-[5-(1-benzofuran-2-yl)-1-phenylpyrazol-3-yl]-4-[(E)-(2-chloro-4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione 3-[5-(benzofuran-2-yl)-1-phenyl-pyrazol-3-yl]-4-[(E)-(2-chloro-4-nitro-phenyl)methyleneamino]-1H-1,2,4-triazole-5-thione 3-[5-(1-benzofuran-2-yl)-1-phenyl-pyrazol-3-yl]-4-[(E)-(2-chloranyl-4-nitro-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Wiley ID	1696165