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5-(3-Chlorophenyl)-4-(4-methylphenyl)-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID 90JYcw56WLt
InChI InChI=1S/C20H21ClN4S/c1-15-7-9-18(10-8-15)25-19(16-5-4-6-17(21)13-16)22-24(20(25)26)14-23-11-2-3-12-23/h4-10,13H,2-3,11-12,14H2,1H3
InChIKey OUQFGVHMYWBHHY-UHFFFAOYSA-N
Mol Weight 384.93 g/mol
Molecular Formula C20H21ClN4S
Exact Mass 384.117546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cp3ADlJz8yG
Name 5-(3-Chlorophenyl)-4-(4-methylphenyl)-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Alternate Name(s) 5-(3-Chlorophenyl)-4-(4-methylphenyl)-2-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-thione 5-(3-Chlorophenyl)-4-(p-tolyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione 5-(3-Chlorophenyl)-4-(4-methylphenyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21ClN4S
InChI InChI=1S/C20H21ClN4S/c1-15-7-9-18(10-8-15)25-19(16-5-4-6-17(21)13-16)22-24(20(25)26)14-23-11-2-3-12-23/h4-10,13H,2-3,11-12,14H2,1H3
InChIKey OUQFGVHMYWBHHY-UHFFFAOYSA-N
Molecular Weight 384.929 g/mol
SMILES C1(N(N=C(N1c1ccc(cc1)C)c1cc(Cl)ccc1)CN1CCCC1)=S
SPLASH splash10-001i-9000000000-15eda24cda0c10835488
Source of Spectrum F2-46-246-24
Wiley ID 1689813