LX6
Summary
| Name: | 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Formula: | C9 H10 N2 S |
| Formal charge: | 0 |
| Formula weight: | 178.254 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc1c2CCCCc2sc1N |
| InChI | InChI | 1.03 | InChI=1S/C9H10N2S/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,11H2 |
| InChIKey | InChI | 1.03 | ADHVMGAFAKSNOM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc2CCCCc2c1C#N |
| SMILES | CACTVS | 3.385 | Nc1sc2CCCCc2c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CCc2c(c(c(s2)N)C#N)C1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CCc2c(c(c(s2)N)C#N)C1 |
