B48
Summary
| Name: | 4-methyl-5-[3-(methylsulfanyl)-1H-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole |
| Formula: | C12 H11 N3 S3 |
| Formal charge: | 0 |
| Formula weight: | 293.431 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-methyl-5-[3-(methylsulfanyl)-1H-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole |
| OpenEye OEToolkits | 1.5.0 | 4-methyl-5-(5-methylsulfanyl-2H-pyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | s1cccc1c2nc(c(s2)c3cc(SC)nn3)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CSc1cc([nH]n1)c2sc(nc2C)c3sccc3 |
| SMILES | CACTVS | 3.341 | CSc1cc([nH]n1)c2sc(nc2C)c3sccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(sc(n1)c2cccs2)c3cc(n[nH]3)SC |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(sc(n1)c2cccs2)c3cc(n[nH]3)SC |
| InChI | InChI | 1.03 | InChI=1S/C12H11N3S3/c1-7-11(8-6-10(16-2)15-14-8)18-12(13-7)9-4-3-5-17-9/h3-6H,1-2H3,(H,14,15) |
| InChIKey | InChI | 1.03 | QVFLVBFBDVWAJG-UHFFFAOYSA-N |
