T90
Summary
| Name: | 1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone |
| Formula: | C20 H21 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 367.465 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H21N3O2S/c1-14(24)17-9-10-19(25-3)18(11-17)13-26-20-22-21-15(2)23(20)12-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3 |
| InChIKey | InChI | 1.03 | GBQPKTFARABQAW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1CSc2nnc(C)n2Cc3ccccc3)C(C)=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1CSc2nnc(C)n2Cc3ccccc3)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1nnc(n1Cc2ccccc2)SCc3cc(ccc3OC)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1nnc(n1Cc2ccccc2)SCc3cc(ccc3OC)C(=O)C |
