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benzenesulfonamide, N-[5-amino-1-[4-(4-chlorophenyl)-2-thiazolyl]-1H-1,2,4-triazol-3-yl]-4-methyl-
SpectraBase Compound ID 9WdM61sPYcv
InChI InChI=1S/C18H15ClN6O2S2/c1-11-2-8-14(9-3-11)29(26,27)24-17-22-16(20)25(23-17)18-21-15(10-28-18)12-4-6-13(19)7-5-12/h2-10H,1H3,(H3,20,22,23,24)
InChIKey SRTANULMBGTSHL-UHFFFAOYSA-N
Mol Weight 446.93 g/mol
Molecular Formula C18H15ClN6O2S2
Exact Mass 446.038644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22lH7l0Vrwl
Name Benzenesulfonamide, N-[5-amino-1-[4-(4-chlorophenyl)-2-thiazolyl]-1H-1,2,4-triazol-3-yl]-4-methyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.038643793 u
Formula C18H15ClN6O2S2
InChI InChI=1S/C18H15ClN6O2S2/c1-11-2-8-14(9-3-11)29(26,27)24-17-22-16(20)25(23-17)18-21-15(10-28-18)12-4-6-13(19)7-5-12/h2-10H,1H3,(H3,20,22,23,24)
InChIKey SRTANULMBGTSHL-UHFFFAOYSA-N
Molecular Weight 446.931 g/mol
SMILES N(S(C1=CC=C(C=C1)C)(=O)=O)C=1N=C(N(N1)C1=NC(C2=CC=C(C=C2)Cl)=CS1)N