2GA
Summary
| Name: | 2-[(3,5-DIMETHYL-1H-PYRAZOL-4-YL)SULFANYL]-5-METHYLSULFANYL-1,3,4-THIADIAZOLE |
| Formula: | C8 H10 N4 S3 |
| Formal charge: | 0 |
| Formula weight: | 258.387 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-(methylsulfanyl)-1,3,4-thiadiazole |
| OpenEye OEToolkits | 1.7.0 | 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2c(c(Sc1nnc(SC)s1)c(n2)C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CSc1sc(Sc2c(C)[nH]nc2C)nn1 |
| SMILES | CACTVS | 3.370 | CSc1sc(Sc2c(C)[nH]nc2C)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC |
| InChI | InChI | 1.03 | InChI=1S/C8H10N4S3/c1-4-6(5(2)10-9-4)14-8-12-11-7(13-3)15-8/h1-3H3,(H,9,10) |
| InChIKey | InChI | 1.03 | PNARKDACJAPELK-UHFFFAOYSA-N |
