JE7
Summary
| Name: | 5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine |
| Formula: | C12 H8 Cl2 N4 S |
| Formal charge: | 0 |
| Formula weight: | 311.19 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine |
| OpenEye OEToolkits | 2.0.6 | 5-[2,3-bis(chloranyl)phenyl]sulfanyl-3~{H}-imidazo[4,5-b]pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c12nc(ccc1nc(n2)N)Sc3c(Cl)c(Cl)ccc3 |
| InChI | InChI | 1.03 | InChI=1S/C12H8Cl2N4S/c13-6-2-1-3-8(10(6)14)19-9-5-4-7-11(17-9)18-12(15)16-7/h1-5H,(H3,15,16,17,18) |
| InChIKey | InChI | 1.03 | CYJMENLWUXOKNT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1[nH]c2nc(Sc3cccc(Cl)c3Cl)ccc2n1 |
| SMILES | CACTVS | 3.385 | Nc1[nH]c2nc(Sc3cccc(Cl)c3Cl)ccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1)Cl)Cl)Sc2ccc3c(n2)[nH]c(n3)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(c(c1)Cl)Cl)Sc2ccc3c(n2)[nH]c(n3)N |
