A1EMF
Summary
| Name: | 3-phenyl-5-prop-2-enylsulfanyl-4~{H}-1,2,4-triazole |
| Formula: | C11 H11 N3 S |
| Formal charge: | 0 |
| Formula weight: | 217.29 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-phenyl-5-prop-2-enylsulfanyl-4~{H}-1,2,4-triazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H11N3S/c1-2-8-15-11-12-10(13-14-11)9-6-4-3-5-7-9/h2-7H,1,8H2,(H,12,13,14) |
| InChIKey | InChI | 1.06 | TWQFNUXVXFMLPV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C=CCSc1[nH]c(nn1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | C=CCSc1[nH]c(nn1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CCSc1[nH]c(nn1)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=CCSc1[nH]c(nn1)c2ccccc2 |
