UYR
Summary
| Name: | (2E)-2-cyano-3-(thiophen-3-yl)prop-2-enamide |
| Formula: | C8 H6 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 178.211 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-2-cyano-3-(thiophen-3-yl)prop-2-enamide |
| OpenEye OEToolkits | 2.0.7 | (~{E})-2-cyano-3-thiophen-3-yl-prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)C(=C/c1ccsc1)/C#N |
| InChI | InChI | 1.06 | InChI=1S/C8H6N2OS/c9-4-7(8(10)11)3-6-1-2-12-5-6/h1-3,5H,(H2,10,11)/b7-3+ |
| InChIKey | InChI | 1.06 | ZXICRUZKUISQPW-XVNBXDOJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)/C(=C/c1cscc1)C#N |
| SMILES | CACTVS | 3.385 | NC(=O)C(=Cc1cscc1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cscc1/C=C(\C#N)/C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cscc1C=C(C#N)C(=O)N |
