For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5-(2-chlorophenyl)-4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide
SpectraBase Compound ID CQD7s3Qsmsl
InChI InChI=1S/C17H16ClN5S/c1-22(2)13-9-7-12(8-10-13)11-19-23-16(20-21-17(23)24)14-5-3-4-6-15(14)18/h3-11H,1-2H3,(H,21,24)/b19-11+
InChIKey ZWLPAIPQGKSAAW-YBFXNURJSA-N
Mol Weight 357.86 g/mol
Molecular Formula C17H16ClN5S
Exact Mass 357.081494 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3LZm9BxC3p7
Name 5-(2-Chlorophenyl)-4-({(E)-[4-(dimethylamino)phenyl]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 357.081494409 u
Formula C17H16ClN5S
InChI InChI=1S/C17H16ClN5S/c1-22(2)13-9-7-12(8-10-13)11-19-23-16(20-21-17(23)24)14-5-3-4-6-15(14)18/h3-11H,1-2H3,(H,21,24)/b19-11+
InChIKey ZWLPAIPQGKSAAW-YBFXNURJSA-N
Molecular Weight 357.863 g/mol
SMILES SC=1N(C(=NN1)C1=C(Cl)C=CC=C1)\N=C\C1=CC=C(C=C1)N(C)C