1TH
Summary
| Name: | 4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1H-1,2,4-triazole-5-thione |
| Formula: | C17 H16 F N3 S2 |
| Formal charge: | 0 |
| Formula weight: | 345.457 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-3-phenyl-1~{H}-1,2,4-triazole-5-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16FN3S2/c18-15-8-6-13(7-9-15)12-23-11-10-21-16(19-20-17(21)22)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,20,22) |
| InChIKey | InChI | 1.03 | LRQVOMZVJBZOPI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(CSCCN2C(=S)NN=C2c3ccccc3)cc1 |
| SMILES | CACTVS | 3.385 | Fc1ccc(CSCCN2C(=S)NN=C2c3ccccc3)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2=NNC(=S)N2CCSCc3ccc(cc3)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2=NNC(=S)N2CCSCc3ccc(cc3)F |
