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4-(3,4-dichlorophenyl)-3-(1-naphthalenylmethyl)-1H-1,2,4-triazole-5-thione
SpectraBase Compound ID 5de4ZkaoD3Z
InChI InChI=1S/C19H13Cl2N3S/c20-16-9-8-14(11-17(16)21)24-18(22-23-19(24)25)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2,(H,23,25)
InChIKey XPQCGXNTBKLOLD-UHFFFAOYSA-N
Mol Weight 386.3 g/mol
Molecular Formula C19H13Cl2N3S
Exact Mass 385.020724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkS2d3t9S5N
Name 4-(3,4-dichlorophenyl)-3-(1-naphthalenylmethyl)-1H-1,2,4-triazole-5-thione
Alternate Name(s) 4-(3,4-dichlorophenyl)-3-(1-naphthylmethyl)-1H-1,2,4-triazole-5-thione 4-(3,4-dichlorophenyl)-3-(naphthalen-1-ylmethyl)-1H-1,2,4-triazole-5-thione
CAS Registry Number 77052-86-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13Cl2N3S
InChI InChI=1S/C19H13Cl2N3S/c20-16-9-8-14(11-17(16)21)24-18(22-23-19(24)25)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2,(H,23,25)
InChIKey XPQCGXNTBKLOLD-UHFFFAOYSA-N
Molecular Weight 386.300 g/mol
SMILES N1N=C(N(C1=S)c1cc(Cl)c(cc1)Cl)Cc1c2c(cccc2)ccc1
SPLASH splash10-02vo-0900000000-1dd2b9fc29f9a91e7740
Source of Spectrum Y-17-1370-5
Wiley ID 119704