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3-(3,4-dimethoxyphenyl)-4-[(E)-(4-fluorobenzylidene)amino]-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID HGzE2hriBuq
InChI InChI=1S/C17H15FN4O2S/c1-23-14-8-5-12(9-15(14)24-2)16-20-21-17(25)22(16)19-10-11-3-6-13(18)7-4-11/h3-10H,1-2H3,(H,21,25)/b19-10+
InChIKey VXJXYJASGOLPQE-VXLYETTFSA-N
Mol Weight 358.39 g/mol
Molecular Formula C17H15FN4O2S
Exact Mass 358.089975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3o0Yb6ZLDOF
Name 3-(3,4-dimethoxyphenyl)-4-[(E)-(4-fluorobenzylidene)amino]-1H-1,2,4-triazole-5-thione
CAS Registry Number 129081-84-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15FN4O2S
InChI InChI=1S/C17H15FN4O2S/c1-23-14-8-5-12(9-15(14)24-2)16-20-21-17(25)22(16)19-10-11-3-6-13(18)7-4-11/h3-10H,1-2H3,(H,21,25)/b19-10+
InChIKey VXJXYJASGOLPQE-VXLYETTFSA-N
Molecular Weight 358.391 g/mol
SMILES N1N=C(N(C1=S)\N=C\c1ccc(cc1)F)c1cc(OC)c(cc1)OC
SPLASH splash10-0a4i-0059000000-5a0203d0c6f1ebb5ef95
Source of Spectrum AH-121-223-3
Synonyms 3-(3,4-dimethoxyphenyl)-4-[(E)-(4-fluorophenyl)methyleneamino]-1H-1,2,4-triazole-5-thione 3-(3,4-dimethoxyphenyl)-4-[(E)-(4-fluorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione 5-(3,4-dimethoxyphenyl)-4-{[(E)-(4-fluorophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Wiley ID 1346860