8QG
Summary
| Name: | 4-(5-chlorothiophen-2-yl)-1H-pyrazole |
| Formula: | C7 H5 Cl N2 S |
| Formal charge: | 0 |
| Formula weight: | 184.646 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(5-chlorothiophen-2-yl)-1H-pyrazole |
| OpenEye OEToolkits | 2.0.6 | 4-(5-chloranylthiophen-2-yl)-1~{H}-pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1nncc1c2ccc(Cl)s2 |
| InChI | InChI | 1.03 | InChI=1S/C7H5ClN2S/c8-7-2-1-6(11-7)5-3-9-10-4-5/h1-4H,(H,9,10) |
| InChIKey | InChI | 1.03 | FSGXXIOYDLGFFB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1sc(cc1)c2c[nH]nc2 |
| SMILES | CACTVS | 3.385 | Clc1sc(cc1)c2c[nH]nc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(sc1c2c[nH]nc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(sc1c2c[nH]nc2)Cl |
