| SpectraBase Spectrum ID |
EGf2UKSSCaa |
| Name |
5-(N-Methyl-N-phenylaminomethyl)-4-(2-chlorophenyl)-1,2,4-triazol-3-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.070595373 u |
| Formula |
C16H15ClN4S |
| InChI |
InChI=1S/C16H15ClN4S/c1-20(12-7-3-2-4-8-12)11-15-18-19-16(22)21(15)14-10-6-5-9-13(14)17/h2-10H,11H2,1H3,(H,19,22) |
| InChIKey |
QFVIDJHFFHJDHL-UHFFFAOYSA-N |
| Molecular Weight |
330.837 g/mol |
| SMILES |
C=1(N(C(NN1)=S)C=1C(Cl)=CC=CC1)CN(C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893116 |
