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Ethyl (E)-2-{N'-[(2,1,3-benzothiadiazol-4-yl)sulfonyl]acetimidamido}-1H-benzimidazole-5-carboxylate
SpectraBase Compound ID 5WFZVVwDRKZ
InChI InChI=1S/C18H16N6O4S2/c1-3-28-17(25)11-7-8-12-14(9-11)21-18(20-12)19-10(2)24-30(26,27)15-6-4-5-13-16(15)23-29-22-13/h4-9H,3H2,1-2H3,(H2,19,20,21,24)
InChIKey RFANNFZFRFZNNG-UHFFFAOYSA-N
Mol Weight 444.48 g/mol
Molecular Formula C18H16N6O4S2
Exact Mass 444.067445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ej41Em1vMOz
Name Ethyl (E)-2-{N'-[(2,1,3-benzothiadiazol-4-yl)sulfonyl]acetimidamido}-1H-benzimidazole-5-carboxylate
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N6O4S2
InChI InChI=1S/C18H16N6O4S2/c1-3-28-17(25)11-7-8-12-14(9-11)21-18(20-12)19-10(2)24-30(26,27)15-6-4-5-13-16(15)23-29-22-13/h4-9H,3H2,1-2H3,(H2,19,20,21,24)
InChIKey RFANNFZFRFZNNG-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p010.200
Molecular Weight 444.484 g/mol
SMILES [nH]1c(nc2cc(ccc12)C(OCC)=O)N\C(C)=N\S(=O)(c1c2c(ccc1)nsn2)=O
SPLASH splash10-000i-0739100000-568c2f88f9c17e2e053b
Source of Spectrum ARK-2017-236-4k
Wiley ID 1840890