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2-Propanethione, 1-[3-(2,4-dibromophenyl)-5-phenyl-1,3,4-thiadiazol-2(3H)-ylidene]-
SpectraBase Compound ID 2MRZWzGin11
InChI InChI=1S/C17H12Br2N2S2/c1-11(22)9-16-21(15-8-7-13(18)10-14(15)19)20-17(23-16)12-5-3-2-4-6-12/h2-10H,1H3/b16-9-
InChIKey CFSBTSDXNYZERN-SXGWCWSVSA-N
Mol Weight 468.23 g/mol
Molecular Formula C17H12Br2N2S2
Exact Mass 465.880867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CUn73t3KuDw
Name 2-Propanethione, 1-[3-(2,4-dibromophenyl)-5-phenyl-1,3,4-thiadiazol-2(3H)-ylidene]-
Alternate Name(s) (1Z)-1-(3-(2,4-dibromophenyl)-5-phenyl-1,3,4-thiadiazol-2(3H)-ylidene)-2-propanethione 3-(2,4-Dibromophenyl)-5-phenyl-2-thioacetylmethylene-2H-1,3,4-thiadiazolene
CAS Registry Number 80869-95-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12Br2N2S2
InChI InChI=1S/C17H12Br2N2S2/c1-11(22)9-16-21(15-8-7-13(18)10-14(15)19)20-17(23-16)12-5-3-2-4-6-12/h2-10H,1H3/b16-9-
InChIKey CFSBTSDXNYZERN-SXGWCWSVSA-N
Molecular Weight 468.225 g/mol
SMILES C=1(S\C(N(N1)c1c(cc(cc1)Br)Br)=C\C(=S)C)c1ccccc1
SPLASH splash10-052r-0029000000-6f9268ebd4d1ee484a62
Source of Spectrum KC-1981-2954-0
Wiley ID 1391819