A1A41
Summary
| Name: | 3-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1,3-benzoxazol-2(3H)-one |
| Formula: | C11 H10 N4 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 294.353 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 3-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1,3-benzoxazol-2(3H)-one |
| OpenEye OEToolkits | 3.1.0.0 | 3-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,3-benzoxazol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1Oc2ccccc2N1CCSc1nnc(N)s1 |
| InChI | InChI | 1.06 | InChI=1S/C11H10N4O2S2/c12-9-13-14-10(19-9)18-6-5-15-7-3-1-2-4-8(7)17-11(15)16/h1-4H,5-6H2,(H2,12,13) |
| InChIKey | InChI | 1.06 | GBKTZZQCVCFNNJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc(SCCN2C(=O)Oc3ccccc23)nn1 |
| SMILES | CACTVS | 3.385 | Nc1sc(SCCN2C(=O)Oc3ccccc23)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)N(C(=O)O2)CCSc3nnc(s3)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)N(C(=O)O2)CCSc3nnc(s3)N |
