A1I9Y
Summary
| Name: | 5-(thiophen-2-ylmethylamino)-3~{H}-1,3,4-thiadiazole-2-thione |
| Formula: | C7 H7 N3 S3 |
| Formal charge: | 0 |
| Formula weight: | 229.346 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(thiophen-2-ylmethylamino)-3~{H}-1,3,4-thiadiazole-2-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H7N3S3/c11-7-10-9-6(13-7)8-4-5-2-1-3-12-5/h1-3H,4H2,(H,8,9)(H,10,11) |
| InChIKey | InChI | 1.06 | MPSGCOIDZLKDBU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | S=C1NN=C(NCc2sccc2)S1 |
| SMILES | CACTVS | 3.385 | S=C1NN=C(NCc2sccc2)S1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)CNC2=NNC(=S)S2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)CNC2=NNC(=S)S2 |
