4CN
Summary
| Name: | 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one |
| Formula: | C13 H12 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 244.312 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one |
| OpenEye OEToolkits | 1.9.2 | 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-3H-indol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1scc(n1)c3cc2CC(N(c2cc3)C)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H12N2OS/c1-8-14-11(7-17-8)9-3-4-12-10(5-9)6-13(16)15(12)2/h3-5,7H,6H2,1-2H3 |
| InChIKey | InChI | 1.03 | ZBEXFNOIOKBKIV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=O)Cc2cc(ccc12)c3csc(C)n3 |
| SMILES | CACTVS | 3.385 | CN1C(=O)Cc2cc(ccc12)c3csc(C)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1nc(cs1)c2ccc3c(c2)CC(=O)N3C |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1nc(cs1)c2ccc3c(c2)CC(=O)N3C |
