WGQ
Summary
| Name: | (5P)-5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Formula: | C11 H10 Cl N3 S |
| Formal charge: | 0 |
| Formula weight: | 251.735 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5P)-5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| OpenEye OEToolkits | 2.0.7 | 3-(3-chlorophenyl)-4-prop-2-enyl-1~{H}-1,2,4-triazole-5-thione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cccc(c1)C1=NNC(=S)N1CC=C |
| InChI | InChI | 1.06 | InChI=1S/C11H10ClN3S/c1-2-6-15-10(13-14-11(15)16)8-4-3-5-9(12)7-8/h2-5,7H,1,6H2,(H,14,16) |
| InChIKey | InChI | 1.06 | WPVJPFLNVCGFQS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(c1)C2=NNC(=S)N2CC=C |
| SMILES | CACTVS | 3.385 | Clc1cccc(c1)C2=NNC(=S)N2CC=C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CCN1C(=NNC1=S)c2cccc(c2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=CCN1C(=NNC1=S)c2cccc(c2)Cl |
