8M8
Summary
| Name: | 3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile |
| Formula: | C9 H8 N4 S |
| Formal charge: | 0 |
| Formula weight: | 204.252 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H8N4S/c1-5-6(2)8(14-7(5)3-10)9-11-4-12-13-9/h4H,1-2H3,(H,11,12,13) |
| InChIKey | InChI | 1.03 | JSWDWANQMNSAMK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(C)c(sc1C#N)c2n[nH]cn2 |
| SMILES | CACTVS | 3.385 | Cc1c(C)c(sc1C#N)c2n[nH]cn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(sc1C#N)c2nc[nH]n2)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(sc1C#N)c2nc[nH]n2)C |
