| SpectraBase Spectrum ID |
JF9wfY9e0LH |
| Name |
3-(4-Chlorophenyl)-1-[5-(dicyanomethylene)-1-methyl-3-(methylthio)-1,2,4-triazol-4-yl]-2-methyl-isothiourea |
| CAS Registry Number |
107841-20-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H14ClN7S2 |
| InChI |
InChI=1S/C15H14ClN7S2/c1-22-13(10(8-17)9-18)23(15(21-22)25-3)20-14(24-2)19-12-6-4-11(16)5-7-12/h4-7H,1-3H3,(H,19,20) |
| InChIKey |
JDUHRAWHNSTUDV-UHFFFAOYSA-N |
| Molecular Weight |
391.899 g/mol |
| SMILES |
N(N1C(N(C)N=C1SC)=C(C#N)C#N)\C(=N\c1ccc(cc1)Cl)SC |
| SPLASH |
splash10-0006-0219000000-1cd8af2cf64eba64ae6e |
| Source of Spectrum |
F-42-2127-5 |
| Synonyms |
3-(4-Chlorophenyl)-1-[5-(dicyanomethylene)-1-methyl-3-methylsulfanyl-1,2,4-triazol-4-yl]-2-methyl-isothiourea
Methyl N'-(4-chlorophenyl)-N-[5-(dicyanomethylidene)-1-methyl-3-methylsulfanyl-1,2,4-triazol-4-yl]carbamimidothioate
N'-(4-chlorophenyl)-N-[5-(dicyanomethylidene)-1-methyl-3-(methylthio)-1,2,4-triazol-4-yl]carbamimidothioic acid methyl ester |
| Wiley ID |
1365254 |
![3-(4-Chlorophenyl)-1-[5-(dicyanomethylene)-1-methyl-3-(methylthio)-1,2,4-triazol-4-yl]-2-methyl-isothiourea](/api/spectrum/JF9wfY9e0LH/structure.png?h=300&w=458 "3-(4-Chlorophenyl)-1-[5-(dicyanomethylene)-1-methyl-3-(methylthio)-1,2,4-triazol-4-yl]-2-methyl-isothiourea")
