JO6
Summary
| Name: | (4S)-6,8-dichloro-2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine |
| Formula: | C16 H11 Cl3 N4 S |
| Formal charge: | 0 |
| Formula weight: | 397.709 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-6,8-dichloro-2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine |
| OpenEye OEToolkits | 2.0.7 | 2-[2-[6,8-bis(chloranyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]-5-chloranyl-1,3-benzothiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(Cl)c(C)n2nc(nc12)CCc1nc2cc(Cl)ccc2s1 |
| InChI | InChI | 1.03 | InChI=1S/C16H11Cl3N4S/c1-8-10(18)7-11(19)16-21-14(22-23(8)16)4-5-15-20-12-6-9(17)2-3-13(12)24-15/h2-3,6-7H,4-5H2,1H3 |
| InChIKey | InChI | 1.03 | CRLLFUHLFGZCBQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1n2nc(CCc3sc4ccc(Cl)cc4n3)nc2c(Cl)cc1Cl |
| SMILES | CACTVS | 3.385 | Cc1n2nc(CCc3sc4ccc(Cl)cc4n3)nc2c(Cl)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(c2n1nc(n2)CCc3nc4cc(ccc4s3)Cl)Cl)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(c2n1nc(n2)CCc3nc4cc(ccc4s3)Cl)Cl)Cl |
