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S,S-bis[1-{[3'-(3"-Mercaptopropylthio)-5'-(p-methoxyphenyl)]-isoxazol-4'-yl}-1,2,4-triazolyl]-sulfide

View entire compound with spectra: 1 MS (GC)

S,S-bis[1-{[3'-(3"-Mercaptopropylthio)-5'-(p-methoxyphenyl)]-isoxazol-4'-yl}-1,2,4-triazolyl]-sulfide
SpectraBase Compound ID FXRpWl2t5Yl
InChI InChI=1S/C30H30N8O4S4/c1-39-23-9-5-21(6-10-23)27-25(37-19-31-17-33-37)29(35-41-27)43-13-3-15-45-46-16-4-14-44-30-26(38-20-32-18-34-38)28(42-36-30)22-7-11-24(40-2)12-8-22/h5-12,17-20H,3-4,13-16H2,1-2H3
InChIKey ZCVDGTZRQTWSQB-UHFFFAOYSA-N
Mol Weight 694.9 g/mol
Molecular Formula C30H30N8O4S4
Exact Mass 694.127286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HnRPWJQhgZ6
Name S,S-bis[1-{[3'-(3"-Mercaptopropylthio)-5'-(p-methoxyphenyl)]-isoxazol-4'-yl}-1,2,4-triazolyl]-sulfide
Alternate Name(s) S,S-bis[1-{[3'-(3''-Mercaptopropylthio)-5'-p-methoxyphenyl]-isoxazol-4'-yl}-1,2,4-triazolyl]-sulfide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H30N8O4S4
InChI InChI=1S/C30H30N8O4S4/c1-39-23-9-5-21(6-10-23)27-25(37-19-31-17-33-37)29(35-41-27)43-13-3-15-45-46-16-4-14-44-30-26(38-20-32-18-34-38)28(42-36-30)22-7-11-24(40-2)12-8-22/h5-12,17-20H,3-4,13-16H2,1-2H3
InChIKey ZCVDGTZRQTWSQB-UHFFFAOYSA-N
Molecular Weight 694.862 g/mol
SMILES c1(c(onc1SCCCSSCCCSc1c(c(-c2ccc(cc2)OC)on1)-[n]1ncnc1)-c1ccc(cc1)OC)-[n]1ncnc1
SPLASH splash10-002r-7900000000-84c8075240ae4cdcbbde
Source of Spectrum SK-26-3119-5c'
Wiley ID 867387