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3-Chloro-4-[((4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl)sulfanyl)methyl]benzonitrile
SpectraBase Compound ID 2yeHE5NnsFj
InChI InChI=1S/C19H17ClN4OS/c1-13-5-3-4-6-17(13)25-11-18-22-23-19(24(18)2)26-12-15-8-7-14(10-21)9-16(15)20/h3-9H,11-12H2,1-2H3
InChIKey RDUBXXFVHSIGOA-UHFFFAOYSA-N
Mol Weight 384.89 g/mol
Molecular Formula C19H17ClN4OS
Exact Mass 384.08116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vc5lzZ3O7h
Name 3-Chloro-4-[((4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl)sulfanyl)methyl]benzonitrile
CAS Registry Number 296893-01-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17ClN4OS
InChI InChI=1S/C19H17ClN4OS/c1-13-5-3-4-6-17(13)25-11-18-22-23-19(24(18)2)26-12-15-8-7-14(10-21)9-16(15)20/h3-9H,11-12H2,1-2H3
InChIKey RDUBXXFVHSIGOA-UHFFFAOYSA-N
Molecular Weight 384.885 g/mol
SMILES c1ccc(OCc2[n](c(nn2)SCc2c(cc(C#N)cc2)Cl)C)c(C)c1
SPLASH splash10-0zi0-8962000000-8454a1231f2efde6f761
Source of Spectrum AD-0-2532-0
Synonyms 3-Chloranyl-4-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile 3-Chloro-4-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile 3-Chloro-4-[[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Benzonitrile, 3-chloro-4-[4-methyl-5-(2-methylphenoxymethyl)-4H-1,2,4-triazol-3-ylthiomethyl]-
Wiley ID 1426378