98Z
Summary
| Name: | 1~{H}-indole-3-carbonitrile |
| Formula: | C9 H6 N2 |
| Formal charge: | 0 |
| Formula weight: | 142.157 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1~{H}-indole-3-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H |
| InChIKey | InChI | 1.03 | CHIFTAQVXHNVRW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.385 | N#Cc1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(c[nH]2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(c[nH]2)C#N |
