RVZ
Summary
| Name: | 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile |
| Formula: | C17 H12 N6 S |
| Formal charge: | 0 |
| Formula weight: | 332.382 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H12N6S/c18-8-12-15(11-4-2-1-3-5-11)13(9-19)17(23-16(12)20)24-10-14-21-6-7-22-14/h1-7H,10H2,(H2,20,23)(H,21,22) |
| InChIKey | InChI | 1.03 | MUJWBVGOOQHTTJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(SCc2[nH]ccn2)c(C#N)c(c3ccccc3)c1C#N |
| SMILES | CACTVS | 3.385 | Nc1nc(SCc2[nH]ccn2)c(C#N)c(c3ccccc3)c1C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c(c(nc(c2C#N)SCc3[nH]ccn3)N)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c(c(nc(c2C#N)SCc3[nH]ccn3)N)C#N |
