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5-(3-chlorophenyl)-4-{[(E)-(4-methylphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID 8oarRmbOYUo
InChI InChI=1S/C16H13ClN4S/c1-11-5-7-12(8-6-11)10-18-21-15(19-20-16(21)22)13-3-2-4-14(17)9-13/h2-10H,1H3,(H,20,22)/b18-10+
InChIKey KPONNSOFNJSYDD-VCHYOVAHSA-N
Mol Weight 328.82 g/mol
Molecular Formula C16H13ClN4S
Exact Mass 328.054945 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Daih7QgpcRF
Name 5-(3-Chlorophenyl)-4-{[(E)-(4-methylphenyl)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 328.054945309 u
Formula C16H13ClN4S
InChI InChI=1S/C16H13ClN4S/c1-11-5-7-12(8-6-11)10-18-21-15(19-20-16(21)22)13-3-2-4-14(17)9-13/h2-10H,1H3,(H,20,22)/b18-10+
InChIKey KPONNSOFNJSYDD-VCHYOVAHSA-N
SMILES SC=1N(C(=NN1)C1=CC(Cl)=CC=C1)\N=C\C1=CC=C(C=C1)C