72O
Summary
| Name: | 2-[(3-chloranylphenoxy)methyl]-4-methyl-5-(1~{H}-pyrazol-5-yl)-1,3-thiazole |
| Formula: | C14 H12 Cl N3 O S |
| Formal charge: | 0 |
| Formula weight: | 305.783 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 2-[(3-chloranylphenoxy)methyl]-4-methyl-5-(1~{H}-pyrazol-5-yl)-1,3-thiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12ClN3OS/c1-9-14(12-5-6-16-18-12)20-13(17-9)8-19-11-4-2-3-10(15)7-11/h2-7H,8H2,1H3,(H,16,18) |
| InChIKey | InChI | 1.03 | NTAUPEMIWLSANJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(COc2cccc(Cl)c2)sc1c3[nH]ncc3 |
| SMILES | CACTVS | 3.385 | Cc1nc(COc2cccc(Cl)c2)sc1c3[nH]ncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1c(sc(n1)COc2cccc(c2)Cl)c3ccn[nH]3 |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1c(sc(n1)COc2cccc(c2)Cl)c3ccn[nH]3 |
