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5-(3-Chlorophenyl)-4-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID GFDX3Lbkxsw
InChI InChI=1S/C20H21ClN4OS/c1-26-18-9-7-17(8-10-18)25-19(15-5-4-6-16(21)13-15)22-24(20(25)27)14-23-11-2-3-12-23/h4-10,13H,2-3,11-12,14H2,1H3
InChIKey YICJGYIVIPYZBM-UHFFFAOYSA-N
Mol Weight 400.93 g/mol
Molecular Formula C20H21ClN4OS
Exact Mass 400.11246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFlFw7cq0fB
Name 5-(3-Chlorophenyl)-4-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Alternate Name(s) 5-(3-Chlorophenyl)-4-(4-methoxyphenyl)-2-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-thione 5-(3-Chlorophenyl)-4-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21ClN4OS
InChI InChI=1S/C20H21ClN4OS/c1-26-18-9-7-17(8-10-18)25-19(15-5-4-6-16(21)13-15)22-24(20(25)27)14-23-11-2-3-12-23/h4-10,13H,2-3,11-12,14H2,1H3
InChIKey YICJGYIVIPYZBM-UHFFFAOYSA-N
Molecular Weight 400.928 g/mol
SMILES C1(N(N=C(N1c1ccc(cc1)OC)c1cc(Cl)ccc1)CN1CCCC1)=S
SPLASH splash10-001i-9001100000-34ad63c8ee5f356660bd
Source of Spectrum F2-46-246-25
Wiley ID 1689812