JST
Summary
| Name: | BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-YLIDENE]-AMINE |
| Synonyms: | N-ALLYL-5-(4-CHLORO-PHENYL)-6H-1,3,4-THIADIAZIN-2-AMINE |
| Formula: | C13 H14 Cl N3 S |
| Formal charge: | 0 |
| Formula weight: | 279.788 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(2Z)-5-(4-chlorophenyl)-3,6-dihydro-2H-1,3,4-thiadiazin-2-ylidene]but-3-en-1-amine |
| OpenEye OEToolkits | 1.5.0 | N-but-3-enyl-5-(4-chlorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc2ccc(C1=NNC(=N/CC\C=C)/SC1)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Clc1ccc(cc1)C2=NNC(SC2)=NCCC=C |
| SMILES | CACTVS | 3.341 | Clc1ccc(cc1)C2=NNC(SC2)=NCCC=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C=CCCN=C1NN=C(CS1)c2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | C=CCCN=C1NN=C(CS1)c2ccc(cc2)Cl |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | ZVZPCRKQNRRBOQ-UHFFFAOYSA-N |
