| SpectraBase Spectrum ID |
JswAkYFEGTi |
| Name |
1-(2-Methyl-9-oxidanylidene-[1,2,4]triazolo[5,1-B]quinazolin-3-yl)-3-phenyl-thiourea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.094980268 u |
| Formula |
C17H14N6OS |
| InChI |
InChI=1S/C17H14N6OS/c1-11-20-23-15(24)13-9-5-6-10-14(13)19-17(23)22(11)21-16(25)18-12-7-3-2-4-8-12/h2-10H,1H3,(H2,18,21,25) |
| InChIKey |
UYNQTLDLMQGPED-UHFFFAOYSA-N |
| Molecular Weight |
350.400 g/mol |
| SMILES |
C=12N(N=C(N2NC(NC2=CC=CC=C2)=S)C)C(=O)C2=C(N1)C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924878 |
![1-(2-Methyl-9-oxidanylidene-[1,2,4]triazolo[5,1-b]quinazolin-3-yl)-3-phenyl-thiourea](/api/spectrum/JswAkYFEGTi/structure.png?h=300&w=458 "1-(2-Methyl-9-oxidanylidene-[1,2,4]triazolo[5,1-b]quinazolin-3-yl)-3-phenyl-thiourea")
