926
Summary
| Name: | 6-{3-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}pyridin-2(1H)-one |
| Formula: | C15 H13 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 283.348 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-{3-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}pyridin-2(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 6-[3-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=CC=C(N1)c3cc(Sc2nccn2C)ccc3 |
| InChI | InChI | 1.03 | InChI=1S/C15H13N3OS/c1-18-9-8-16-15(18)20-12-5-2-4-11(10-12)13-6-3-7-14(19)17-13/h2-10H,1H3,(H,17,19) |
| InChIKey | InChI | 1.03 | YYWBGPHQPMDZEM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccnc1Sc2cccc(c2)C3=CC=CC(=O)N3 |
| SMILES | CACTVS | 3.385 | Cn1ccnc1Sc2cccc(c2)C3=CC=CC(=O)N3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cn1ccnc1Sc2cccc(c2)C3=CC=CC(=O)N3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cn1ccnc1Sc2cccc(c2)C3=CC=CC(=O)N3 |
