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5-(3-chlorophenyl)-4-{[(E)-(4-isopropylphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID 2EIQsXjQRfp
InChI InChI=1S/C18H17ClN4S/c1-12(2)14-8-6-13(7-9-14)11-20-23-17(21-22-18(23)24)15-4-3-5-16(19)10-15/h3-12H,1-2H3,(H,22,24)/b20-11+
InChIKey KGAFMKOOYKXLGT-RGVLZGJSSA-N
Mol Weight 356.88 g/mol
Molecular Formula C18H17ClN4S
Exact Mass 356.086245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWXOwDE31ne
Name 5-(3-Chlorophenyl)-4-{[(E)-(4-isopropylphenyl)methylidene]amino}-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 356.086245437 u
Formula C18H17ClN4S
InChI InChI=1S/C18H17ClN4S/c1-12(2)14-8-6-13(7-9-14)11-20-23-17(21-22-18(23)24)15-4-3-5-16(19)10-15/h3-12H,1-2H3,(H,22,24)/b20-11+
InChIKey KGAFMKOOYKXLGT-RGVLZGJSSA-N
Molecular Weight 356.875 g/mol
SMILES SC=1N(C(=NN1)C1=CC(Cl)=CC=C1)\N=C\C=1C=CC(=CC1)C(C)C