A1ABP
Summary
| Name: | N-[2-(4-chlorophenyl)ethyl]hydrazinecarbothioamide |
| Formula: | C9 H12 Cl N3 S |
| Formal charge: | 0 |
| Formula weight: | 229.73 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(4-chlorophenyl)ethyl]hydrazinecarbothioamide |
| OpenEye OEToolkits | 2.0.7 | 1-azanyl-3-[2-(4-chlorophenyl)ethyl]thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(CCNC(=S)NN)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H12ClN3S/c10-8-3-1-7(2-4-8)5-6-12-9(14)13-11/h1-4H,5-6,11H2,(H2,12,13,14) |
| InChIKey | InChI | 1.06 | ZLRCVMRQYKDFAL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NNC(=S)NCCc1ccc(Cl)cc1 |
| SMILES | CACTVS | 3.385 | NNC(=S)NCCc1ccc(Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCNC(=S)NN)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCNC(=S)NN)Cl |
