8SL
Summary
| Name: | 3-[(4-methoxyphenyl)methylsulfanyl]-5-(2-methylpropyl)-4-(phenylmethyl)-1,2,4-triazole |
| Formula: | C21 H25 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 367.508 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[(4-methoxyphenyl)methylsulfanyl]-5-(2-methylpropyl)-4-(phenylmethyl)-1,2,4-triazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H25N3OS/c1-16(2)13-20-22-23-21(24(20)14-17-7-5-4-6-8-17)26-15-18-9-11-19(25-3)12-10-18/h4-12,16H,13-15H2,1-3H3 |
| InChIKey | InChI | 1.03 | WYMPXNJKMFASMX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CSc2nnc(CC(C)C)n2Cc3ccccc3)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(CSc2nnc(CC(C)C)n2Cc3ccccc3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)Cc1nnc(n1Cc2ccccc2)SCc3ccc(cc3)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)Cc1nnc(n1Cc2ccccc2)SCc3ccc(cc3)OC |
