BEA
Summary
| Name: | 5-METHYL-1,2,4-TRIAZOLO[3,4-B]BENZOTHIAZOLE |
| Synonyms: | TRICYCLAZOLE |
| Formula: | C9 H8 N3 S |
| Formal charge: | 1 |
| Formula weight: | 190.245 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-methyl[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ium |
| OpenEye OEToolkits | 1.5.0 | 8-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n2[nH+]c3sc1c(c(ccc1)C)n3c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc2sc3[nH+]ncn3c12 |
| SMILES | CACTVS | 3.341 | Cc1cccc2sc3[nH+]ncn3c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc2c1n3cn[nH+]c3s2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc2c1n3cn[nH+]c3s2 |
| InChI | InChI | 1.03 | InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3/p+1 |
| InChIKey | InChI | 1.03 | DQJCHOQLCLEDLL-UHFFFAOYSA-O |
