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1H-1,2,4-Triazole, 1,1'-(1-methylethylidene)bis[3-[[(4-chlorophenyl)methyl]thio]-
SpectraBase Compound ID 2B7NSr4EPe3
InChI InChI=1S/C21H20Cl2N6S2/c1-21(2,28-13-24-19(26-28)30-11-15-3-7-17(22)8-4-15)29-14-25-20(27-29)31-12-16-5-9-18(23)10-6-16/h3-10,13-14H,11-12H2,1-2H3
InChIKey HJVFVAAAZBDUFY-UHFFFAOYSA-N
Mol Weight 491.46 g/mol
Molecular Formula C21H20Cl2N6S2
Exact Mass 490.056792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bzqDPeHewk
Name 1H-1,2,4-Triazole, 1,1'-(1-methylethylidene)bis[3-[[(4-chlorophenyl)methyl]thio]-
CAS Registry Number 118718-09-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20Cl2N6S2
InChI InChI=1S/C21H20Cl2N6S2/c1-21(2,28-13-24-19(26-28)30-11-15-3-7-17(22)8-4-15)29-14-25-20(27-29)31-12-16-5-9-18(23)10-6-16/h3-10,13-14H,11-12H2,1-2H3
InChIKey HJVFVAAAZBDUFY-UHFFFAOYSA-N
Molecular Weight 491.459 g/mol
SMILES C([n]1nc(SCc2ccc(cc2)Cl)nc1)([n]1nc(SCc2ccc(cc2)Cl)nc1)(C)C
SPLASH splash10-00or-0980000000-044c8c58a73118ef8577
Source of Spectrum KC-1988-1901-6
Synonyms 2,2-bis(3-{p-chlorobenzylthio}-1H-1,2,4-triazol-1-yl)-propane 3-[(4-chlorobenzyl)sulfanyl]-1-(1-{3-[(4-chlorobenzyl)sulfanyl]-1H-1,2,4-triazol-1-yl}-1-methylethyl)-1H-1,2,4-triazole
Wiley ID 1397172