EHY
Summary
| Name: | N-(2-phenylethyl)-N'-pyridin-3-ylthiourea |
| Formula: | C14 H15 N3 S |
| Formal charge: | 0 |
| Formula weight: | 257.354 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2-phenylethyl)-N'-pyridin-3-ylthiourea |
| OpenEye OEToolkits | 2.0.6 | 1-(2-phenylethyl)-3-pyridin-3-yl-thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(cc1)CCNC(Nc2cccnc2)=S |
| InChI | InChI | 1.03 | InChI=1S/C14H15N3S/c18-14(17-13-7-4-9-15-11-13)16-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H2,16,17,18) |
| InChIKey | InChI | 1.03 | VMCPIEORRRSZLR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | S=C(NCCc1ccccc1)Nc2cccnc2 |
| SMILES | CACTVS | 3.385 | S=C(NCCc1ccccc1)Nc2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CCNC(=S)Nc2cccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CCNC(=S)Nc2cccnc2 |
