| SpectraBase Spectrum ID |
i7OUwIU0Mj |
| Name |
4-([(3Z)-5-(4-Chloroanilino)-4-(4-chlorophenyl)-4,5-dihydro-3H-1,2,4-triazol-3-ylidene]amino)-6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one |
| Comments |
Structure changed after expert review |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H16Cl2N8OS |
| InChI |
InChI=1S/C19H16Cl2N8OS/c1-11-16(30)29(19(31-2)26-23-11)27-18-25-24-17(22-14-7-3-12(20)4-8-14)28(18)15-9-5-13(21)6-10-15/h3-10,17,22H,1-2H3/b27-18+ |
| InChIKey |
VMUPQCVNMPZZBH-OVVQPSECSA-N |
| Molecular Weight |
475.358 g/mol |
| SMILES |
N(c1ccc(cc1)Cl)C1N(\C(=N\N2C(=NN=C(C2=O)C)SC)N=N1)c1ccc(cc1)Cl |
| SPLASH |
splash10-00kb-9301000000-a81a4d488a680bf094cb |
| Source of Spectrum |
F-43-796-2 |
| Wiley ID |
1393741 |
![4-([(3Z)-5-(4-Chloroanilino)-4-(4-chlorophenyl)-4,5-dihydro-3H-1,2,4-triazol-3-ylidene]amino)-6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one](/api/spectrum/i7OUwIU0Mj/structure.png?h=300&w=458 "4-([(3Z)-5-(4-Chloroanilino)-4-(4-chlorophenyl)-4,5-dihydro-3H-1,2,4-triazol-3-ylidene]amino)-6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one")
