6TD
Summary
| Name: | 2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole |
| Synonyms: | 6-(1H-indol-2-yl)-3-(4-methoxybenzyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Formula: | C19 H15 N5 O S |
| Formal charge: | 0 |
| Formula weight: | 361.42 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[3-(4-methoxybenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole |
| OpenEye OEToolkits | 1.7.6 | 6-(1H-indol-2-yl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1nc3sc(nn3c1Cc2ccc(OC)cc2)c5cc4ccccc4n5 |
| InChI | InChI | 1.03 | InChI=1S/C19H15N5OS/c1-25-14-8-6-12(7-9-14)10-17-21-22-19-24(17)23-18(26-19)16-11-13-4-2-3-5-15(13)20-16/h2-9,11,20H,10H2,1H3 |
| InChIKey | InChI | 1.03 | ZXLRTUDCUYHDLP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Cc2nnc3sc(nn23)c4[nH]c5ccccc5c4)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(Cc2nnc3sc(nn23)c4[nH]c5ccccc5c4)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)Cc2nnc3n2nc(s3)c4cc5ccccc5[nH]4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1)Cc2nnc3n2nc(s3)c4cc5ccccc5[nH]4 |
