LF6
Summary
| Name: | {(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol |
| Formula: | C9 H15 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 213.3 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol |
| OpenEye OEToolkits | 2.0.7 | [(1~{R},2~{R})-2-[(~{Z})-(3-methyl-2~{H}-1,2,4-thiadiazol-5-ylidene)amino]cyclopentyl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1=N\C(=N\C2CCCC2CO)SN1 |
| InChI | InChI | 1.03 | InChI=1S/C9H15N3OS/c1-6-10-9(14-12-6)11-8-4-2-3-7(8)5-13/h7-8,13H,2-5H2,1H3,(H,10,11,12)/t7-,8+/m0/s1 |
| InChIKey | InChI | 1.03 | QUKZXHGECCPEIZ-JGVFFNPUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=NC(SN1)=N[C@@H]2CCC[C@H]2CO |
| SMILES | CACTVS | 3.385 | CC1=NC(SN1)=N[CH]2CCC[CH]2CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=N/C(=N/[C@@H]2CCC[C@H]2CO)/SN1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=NC(=NC2CCCC2CO)SN1 |
