UAY
Summary
| Name: | 7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione |
| Formula: | C13 H8 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 256.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (7E)-7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione |
| OpenEye OEToolkits | 2.0.7 | 7-azanylidene-2-phenyl-thieno[3,2-c]pyridine-4,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ccccc1)c3sc\2c(C(NC(C/2=N)=O)=O)c3 |
| InChI | InChI | 1.03 | InChI=1S/C13H8N2O2S/c14-10-11-8(12(16)15-13(10)17)6-9(18-11)7-4-2-1-3-5-7/h1-6,14H,(H,15,16,17)/b14-10- |
| InChIKey | InChI | 1.03 | CQHAROORCYWRRH-UVTDQMKNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N=C1C(=O)NC(=O)c2cc(sc12)c3ccccc3 |
| SMILES | CACTVS | 3.385 | N=C1C(=O)NC(=O)c2cc(sc12)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C\1/c2c(cc(s2)c3ccccc3)C(=O)NC1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc3c(s2)C(=N)C(=O)NC3=O |
