8BH
Summary
| Name: | 5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile |
| Synonyms: | Tyrphostin AG 1112 |
| Formula: | C15 H10 N6 |
| Formal charge: | 0 |
| Formula weight: | 274.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H10N6/c16-6-9(14-12(7-17)15(18)21-20-14)5-10-8-19-13-4-2-1-3-11(10)13/h1-5,8,19H,(H3,18,20,21)/b9-5+ |
| InChIKey | InChI | 1.03 | OJMXHLJIMZMFGX-WEVVVXLNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1[nH]nc(C(=C/c2c[nH]c3ccccc23)/C#N)c1C#N |
| SMILES | CACTVS | 3.385 | Nc1[nH]nc(C(=Cc2c[nH]c3ccccc23)C#N)c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)/C=C(\C#N)/c3c(c([nH]n3)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)C=C(C#N)c3c(c([nH]n3)N)C#N |
