C9H
Summary
| Name: | 5-(pentylsulfanyl)-1H-1,2,4-triazole |
| Formula: | C7 H13 N3 S |
| Formal charge: | 0 |
| Formula weight: | 171.263 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(pentylsulfanyl)-1H-1,2,4-triazole |
| OpenEye OEToolkits | 1.7.6 | 5-pentylsulfanyl-1H-1,2,4-triazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H13N3S/c1-2-3-4-5-11-7-8-6-9-10-7/h6H,2-5H2,1H3,(H,8,9,10) |
| InChIKey | InChI | 1.03 | YDSWCAZMHZEBFW-UHFFFAOYSA-N |
| SMILES | ACDLabs | 12.01 | S(c1ncnn1)CCCCC |
| SMILES_CANONICAL | CACTVS | 3.370 | CCCCCSc1[nH]ncn1 |
| SMILES | CACTVS | 3.370 | CCCCCSc1[nH]ncn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCSc1[nH]ncn1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCSc1[nH]ncn1 |
