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4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide

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4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID KdFSAWS1OIR
InChI InChI=1S/C18H19N3O4S/c1-22-13-7-5-12(6-8-13)21-17(19-20-18(21)26)11-9-14(23-2)16(25-4)15(10-11)24-3/h5-10H,1-4H3,(H,20,26)
InChIKey ZAWUKMONRIVNPA-UHFFFAOYSA-N
Mol Weight 373.43 g/mol
Molecular Formula C18H19N3O4S
Exact Mass 373.109627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7S747BmGzPB
Name 4-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.109627274 u
Formula C18H19N3O4S
InChI InChI=1S/C18H19N3O4S/c1-22-13-7-5-12(6-8-13)21-17(19-20-18(21)26)11-9-14(23-2)16(25-4)15(10-11)24-3/h5-10H,1-4H3,(H,20,26)
InChIKey ZAWUKMONRIVNPA-UHFFFAOYSA-N
Molecular Weight 373.427 g/mol
SMILES SC=1N(C(=NN1)C1=CC(OC)=C(C(=C1)OC)OC)C1=CC=C(C=C1)OC