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4-(2-Iodophenyl)-5-(3-chlorophenyl)-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID AphgCmWL83Y
InChI InChI=1S/C19H18ClIN4S/c20-15-7-5-6-14(12-15)18-22-24(13-23-10-3-4-11-23)19(26)25(18)17-9-2-1-8-16(17)21/h1-2,5-9,12H,3-4,10-11,13H2
InChIKey IILBXXQPIBNYTC-UHFFFAOYSA-N
Mol Weight 496.8 g/mol
Molecular Formula C19H18ClIN4S
Exact Mass 495.99854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yeoSHOnguk
Name 4-(2-Iodophenyl)-5-(3-chlorophenyl)-2-(pyrrolidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Alternate Name(s) 5-(3-Chlorophenyl)-4-(2-iodophenyl)-2-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-thione 5-(3-Chlorophenyl)-4-(2-iodophenyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione 5-(3-Chlorophenyl)-4-(2-iodanylphenyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18ClIN4S
InChI InChI=1S/C19H18ClIN4S/c20-15-7-5-6-14(12-15)18-22-24(13-23-10-3-4-11-23)19(26)25(18)17-9-2-1-8-16(17)21/h1-2,5-9,12H,3-4,10-11,13H2
InChIKey IILBXXQPIBNYTC-UHFFFAOYSA-N
Molecular Weight 496.798 g/mol
SMILES C=1(N(C(N(N1)CN1CCCC1)=S)c1c(I)cccc1)c1cc(Cl)ccc1
SPLASH splash10-001i-9000000000-26f9eef9a29821a9ebdc
Source of Spectrum F2-46-246-29
Wiley ID 1713496