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4-Acetyl 2-(N-phenylacetamido)-5-(3-phenylsydnon-4-yl)-4,5-dihydro[1,3,4]thiadiazole
SpectraBase Compound ID 6zT8h0E0ssf
InChI InChI=1S/C20H17N5O4S/c1-13(26)23(15-9-5-3-6-10-15)20-21-24(14(2)27)18(30-20)17-19(28)29-22-25(17)16-11-7-4-8-12-16/h3-12,18H,1-2H3
InChIKey DEWHRRAIVFDMRT-UHFFFAOYSA-N
Mol Weight 423.45 g/mol
Molecular Formula C20H17N5O4S
Exact Mass 423.100125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DDDigKaZFT
Name 4-Acetyl 2-(N-phenylacetamido)-5-(3-phenylsydnon-4-yl)-4,5-dihydro[1,3,4]thiadiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17N5O4S
InChI InChI=1S/C20H17N5O4S/c1-13(26)23(15-9-5-3-6-10-15)20-21-24(14(2)27)18(30-20)17-19(28)29-22-25(17)16-11-7-4-8-12-16/h3-12,18H,1-2H3
InChIKey DEWHRRAIVFDMRT-UHFFFAOYSA-N
Molecular Weight 423.447 g/mol
SMILES C1(c2[n+](noc2[O-])-c2ccccc2)N(N=C(S1)N(C(=O)C)c1ccccc1)C(=O)C
SPLASH splash10-00fr-0953500000-ba865f92d9bed570d068
Source of Spectrum KC-61-10922-6
Wiley ID 1631226