P6X
Summary
| Name: | 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol |
| Formula: | C10 H7 Cl2 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 288.153 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1,2,4-triazin-5-ol |
| OpenEye OEToolkits | 2.0.7 | 3-[(3,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazin-5-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1nc(SCc2ccc(Cl)c(Cl)c2)nnc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H7Cl2N3OS/c11-7-2-1-6(3-8(7)12)5-17-10-14-9(16)4-13-15-10/h1-4H,5H2,(H,14,15,16) |
| InChIKey | InChI | 1.06 | CFRWHJMZZQCDAT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cnnc(SCc2ccc(Cl)c(Cl)c2)n1 |
| SMILES | CACTVS | 3.385 | Oc1cnnc(SCc2ccc(Cl)c(Cl)c2)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CSc2nc(cnn2)O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CSc2nc(cnn2)O)Cl)Cl |
