LXK
Summary
| Name: | 2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile |
| Formula: | C11 H14 N2 S |
| Formal charge: | 0 |
| Formula weight: | 206.307 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H14N2S/c1-11(2)5-3-4-8-9(11)7(6-12)10(13)14-8/h3-5,13H2,1-2H3 |
| InChIKey | InChI | 1.06 | RANGIXHAOGTFIH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CCCc2sc(N)c(C#N)c12 |
| SMILES | CACTVS | 3.385 | CC1(C)CCCc2sc(N)c(C#N)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CCCc2c1c(c(s2)N)C#N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CCCc2c1c(c(s2)N)C#N)C |
