| PDB CCD ID: | JST |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H14 Cl N3 S |
| InChI: | InChI=1S/C13H14ClN3S/c1-2-3-8-15-13-17-16-12(9-18-13)10-4-6-11(14)7-5-10/h2,4-7H,1,3,8-9H2,(H,15,17) |
| InChIKey: | ZVZPCRKQNRRBOQ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | C=CCCN=C1NN=C(CS1)c2ccc(cc2)Cl | | ACDLabs 10.04 | Clc2ccc(C1=NNC(=N/CC\C=C)/SC1)cc2 | | CACTVS 3.341 | Clc1ccc(cc1)C2=NNC(SC2)=NCCC=C |
|
| Name: | BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-YLIDENE]-AMINE;
N-ALLYL-5-(4-CHLORO-PHENYL)-6H-1,3,4-THIADIAZIN-2-AMINE |
| DrugBank: | DB08028 |
| ZINC: | ZINC000006761168 |
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