O1E
Summary
| Name: | 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine |
| Synonyms: | 5-ethyl-~{N}-(1~{H}-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine |
| Formula: | C13 H14 N4 S |
| Formal charge: | 0 |
| Formula weight: | 258.342 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-ethyl-~{N}-(1~{H}-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H14N4S/c1-2-12-16-17-13(18-12)15-8-9-3-4-11-10(7-9)5-6-14-11/h3-7,14H,2,8H2,1H3,(H,15,17) |
| InChIKey | InChI | 1.03 | UEBXWPXCTRZFCZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1sc(NCc2ccc3[nH]ccc3c2)nn1 |
| SMILES | CACTVS | 3.385 | CCc1sc(NCc2ccc3[nH]ccc3c2)nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1nnc(s1)NCc2ccc3c(c2)cc[nH]3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1nnc(s1)NCc2ccc3c(c2)cc[nH]3 |
