L03
Summary
| Name: | 3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE |
| Formula: | C9 H8 Cl N3 S |
| Formal charge: | 0 |
| Formula weight: | 225.698 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(4-chlorophenyl)-5-(methylsulfanyl)-4H-1,2,4-triazole |
| OpenEye OEToolkits | 1.5.0 | 3-(4-chlorophenyl)-5-methylsulfanyl-4H-1,2,4-triazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)c2nnc(SC)n2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CSc1[nH]c(nn1)c2ccc(Cl)cc2 |
| SMILES | CACTVS | 3.341 | CSc1[nH]c(nn1)c2ccc(Cl)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CSc1[nH]c(nn1)c2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | CSc1[nH]c(nn1)c2ccc(cc2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C9H8ClN3S/c1-14-9-11-8(12-13-9)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,11,12,13) |
| InChIKey | InChI | 1.03 | YXVAYMRODBYXIQ-UHFFFAOYSA-N |
