RCT
Summary
| Name: | 4-(3-chloro-2-phenethylphenyl)-1H-1,2,3-triazole |
| Synonyms: | MMG-0472 5-[3-chloranyl-2-(2-phenylethyl)phenyl]-1H-1,2,3-triazole |
| Formula: | C16 H14 Cl N3 |
| Formal charge: | 0 |
| Formula weight: | 283.755 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-[3-chloranyl-2-(2-phenylethyl)phenyl]-1~{H}-1,2,3-triazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H14ClN3/c17-15-8-4-7-14(16-11-18-20-19-16)13(15)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2,(H,18,19,20) |
| InChIKey | InChI | 1.06 | KSCUUNCHIFGAIO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(c2[nH]nnc2)c1CCc3ccccc3 |
| SMILES | CACTVS | 3.385 | Clc1cccc(c2[nH]nnc2)c1CCc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCc2c(cccc2Cl)c3cnn[nH]3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CCc2c(cccc2Cl)c3cnn[nH]3 |
