34M
Summary
| Name: | 3-(4-methoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole |
| Formula: | C20 H19 N5 O3 S |
| Formal charge: | 0 |
| Formula weight: | 409.462 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(4-methoxyphenyl)-5-({[4-(4-methoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole |
| OpenEye OEToolkits | 1.7.2 | 3-(4-methoxyphenyl)-5-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(onc1c2ccc(OC)cc2)CSc4nnc(n4c3ccc(OC)cc3)C |
| InChI | InChI | 1.03 | InChI=1S/C20H19N5O3S/c1-13-22-23-20(25(13)15-6-10-17(27-3)11-7-15)29-12-18-21-19(24-28-18)14-4-8-16(26-2)9-5-14/h4-11H,12H2,1-3H3 |
| InChIKey | InChI | 1.03 | LQZSHPITKSPDLC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(cc1)n2c(C)nnc2SCc3onc(n3)c4ccc(OC)cc4 |
| SMILES | CACTVS | 3.370 | COc1ccc(cc1)n2c(C)nnc2SCc3onc(n3)c4ccc(OC)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1nnc(n1c2ccc(cc2)OC)SCc3nc(no3)c4ccc(cc4)OC |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1nnc(n1c2ccc(cc2)OC)SCc3nc(no3)c4ccc(cc4)OC |
