2QC
Summary
| Name: | 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine |
| Formula: | C9 H9 N3 S |
| Formal charge: | 0 |
| Formula weight: | 191.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine |
| OpenEye OEToolkits | 1.7.6 | [4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1nscc1c2ccc(cc2)CN |
| InChI | InChI | 1.03 | InChI=1S/C9H9N3S/c10-5-7-1-3-8(4-2-7)9-6-13-12-11-9/h1-4,6H,5,10H2 |
| InChIKey | InChI | 1.03 | FWSCINFUBQNPJM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc(cc1)c2csnn2 |
| SMILES | CACTVS | 3.385 | NCc1ccc(cc1)c2csnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CN)c2csnn2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CN)c2csnn2 |
