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5-(4-Nitro-benzylsulfanyl)-[1,3,4]thiadiazole-2-carboxylic acid (4-methoxy-phenyl)-amide
SpectraBase Compound ID DfTlge6mfw8
InChI InChI=1S/C17H14N4O4S2/c1-25-14-8-4-12(5-9-14)18-15(22)16-19-20-17(27-16)26-10-11-2-6-13(7-3-11)21(23)24/h2-9H,10H2,1H3,(H,18,22)
InChIKey VEHXMLSFXALUBW-UHFFFAOYSA-N
Mol Weight 402.44 g/mol
Molecular Formula C17H14N4O4S2
Exact Mass 402.045647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTfJcqLTz4h
Name 5-(4-Nitro-benzylsulfanyl)-[1,3,4]thiadiazole-2-carboxylic acid (4-methoxy-phenyl)-amide
Alternate Name(s) N-(4-methoxyphenyl)-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole-2-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N4O4S2
InChI InChI=1S/C17H14N4O4S2/c1-25-14-8-4-12(5-9-14)18-15(22)16-19-20-17(27-16)26-10-11-2-6-13(7-3-11)21(23)24/h2-9H,10H2,1H3,(H,18,22)
InChIKey VEHXMLSFXALUBW-UHFFFAOYSA-N
Molecular Weight 402.443 g/mol
SMILES N(C(=O)c1nnc(s1)SCc1ccc(cc1)N(=O)=O)c1ccc(cc1)OC
SPLASH splash10-0002-6900000000-af0e8471c33e1ff9c2a9
Wiley ID 1442433