MKN
Summary
| Name: | 3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole |
| Formula: | C11 H8 N2 S2 |
| Formal charge: | 0 |
| Formula weight: | 232.325 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H8N2S2/c1-2-10(14-7-1)11-4-3-9(15-11)8-5-6-12-13-8/h1-7H,(H,12,13) |
| InChIKey | InChI | 1.03 | JTXMBJSVNQHHPW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [nH]1ccc(n1)c2sc(cc2)c3sccc3 |
| SMILES | CACTVS | 3.385 | [nH]1ccc(n1)c2sc(cc2)c3sccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)c2ccc(s2)c3cc[nH]n3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)c2ccc(s2)c3cc[nH]n3 |
