VVL
Summary
| Name: | 6-benzyl-1,2,4-triazine-3,5(2H,4H)-dithione |
| Formula: | C10 H9 N3 S2 |
| Formal charge: | 0 |
| Formula weight: | 235.329 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-benzyl-1,2,4-triazine-3,5(2H,4H)-dithione |
| OpenEye OEToolkits | 2.0.7 | 6-(phenylmethyl)-2~{H}-1,2,4-triazine-3,5-dithione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C1NC(=S)C(Cc2ccccc2)=NN1 |
| InChI | InChI | 1.06 | InChI=1S/C10H9N3S2/c14-9-8(12-13-10(15)11-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,13,14,15) |
| InChIKey | InChI | 1.06 | LJIJCOCWWHDFLK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | S=C1NN=C(Cc2ccccc2)C(=S)N1 |
| SMILES | CACTVS | 3.385 | S=C1NN=C(Cc2ccccc2)C(=S)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC2=NNC(=S)NC2=S |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CC2=NNC(=S)NC2=S |
