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2-([(4-Chloro-2,5-dimethylphenyl)sulfanyl]methyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole
SpectraBase Compound ID 87rRQedfSc6
InChI InChI=1S/C18H16ClN3O3S/c1-10-8-16(12(3)7-14(10)19)26-9-17-20-21-18(25-17)13-4-5-15(22(23)24)11(2)6-13/h4-8H,9H2,1-3H3
InChIKey KSFVOXYUQNHRHJ-UHFFFAOYSA-N
Mol Weight 389.86 g/mol
Molecular Formula C18H16ClN3O3S
Exact Mass 389.06009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJYVmk2ZJYm
Name 2-([(4-Chloro-2,5-dimethylphenyl)sulfanyl]methyl)-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole
Alternate Name(s) 1,3,4-Oxadiazole, 2-(4-chloro-2,5-dimethylphenylthiomethyl)-5-(3-methyl-4-nitrophenyl)- 2-[(4-chloranyl-2,5-dimethyl-phenyl)sulfanylmethyl]-5-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazole 2-[[(4-chloro-2,5-dimethyl-phenyl)thio]methyl]-5-(3-methyl-4-nitro-phenyl)-1,3,4-oxadiazole 2-[[(4-chloro-2,5-dimethylphenyl)thio]methyl]-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole 2-[(4-chloro-2,5-dimethylphenyl)sulfanylmethyl]-5-(3-methyl-4-nitrophenyl)-1,3,4-oxadiazole
CAS Registry Number 298187-59-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16ClN3O3S
InChI InChI=1S/C18H16ClN3O3S/c1-10-8-16(12(3)7-14(10)19)26-9-17-20-21-18(25-17)13-4-5-15(22(23)24)11(2)6-13/h4-8H,9H2,1-3H3
InChIKey KSFVOXYUQNHRHJ-UHFFFAOYSA-N
Molecular Weight 389.857 g/mol
SMILES Cc1c(SCc2oc(nn2)-c2ccc(N(=O)=O)c(c2)C)cc(c(Cl)c1)C
SPLASH splash10-00kb-7901000000-7485378fa4b81cd1b02e
Source of Spectrum AD-0-2532-0
Wiley ID 1431502