A1I3Z
Summary
| Name: | [3-[4-(methylsulfanylmethyl)-1,2,3-triazol-1-yl]phenyl]-[4-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)piperidin-1-yl]methanone |
| Formula: | C24 H25 N7 O S |
| Formal charge: | 0 |
| Formula weight: | 459.567 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [3-[4-(methylsulfanylmethyl)-1,2,3-triazol-1-yl]phenyl]-[4-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)piperidin-1-yl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H25N7OS/c1-33-16-20-15-31(29-26-20)21-9-5-8-19(14-21)24(32)30-12-10-18(11-13-30)23-25-22(27-28-23)17-6-3-2-4-7-17/h2-9,14-15,18H,10-13,16H2,1H3,(H,25,27,28) |
| InChIKey | InChI | 1.06 | VSSLSCGRULXQAG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSCc1cn(nn1)c2cccc(c2)C(=O)N3CCC(CC3)c4[nH]c(nn4)c5ccccc5 |
| SMILES | CACTVS | 3.385 | CSCc1cn(nn1)c2cccc(c2)C(=O)N3CCC(CC3)c4[nH]c(nn4)c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CSCc1cn(nn1)c2cccc(c2)C(=O)N3CCC(CC3)c4[nH]c(nn4)c5ccccc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSCc1cn(nn1)c2cccc(c2)C(=O)N3CCC(CC3)c4[nH]c(nn4)c5ccccc5 |
