LLR
Summary
| Name: | (~{S})-azanyl-[2-[[3-bromanyl-4-(diethylamino)phenyl]methyl]hydrazinyl]methanethiol |
| Formula: | C12 H21 Br N4 S |
| Formal charge: | 0 |
| Formula weight: | 333.291 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{S})-azanyl-[2-[[3-bromanyl-4-(diethylamino)phenyl]methyl]hydrazinyl]methanethiol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H21BrN4S/c1-3-17(4-2)11-6-5-9(7-10(11)13)8-15-16-12(14)18/h5-7,12,15-16,18H,3-4,8,14H2,1-2H3/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | RUDWDGHIPWUJQP-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CC)c1ccc(CNN[C@H](N)S)cc1Br |
| SMILES | CACTVS | 3.385 | CCN(CC)c1ccc(CNN[CH](N)S)cc1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN(CC)c1ccc(cc1Br)CNN[C@H](N)S |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN(CC)c1ccc(cc1Br)CNNC(N)S |
