U8H
Summary
Name: | 6-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dithione |
Formula: | C11 H11 N3 O S2 |
Formal charge: | 0 |
Formula weight: | 265.355 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 6-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dithione |
OpenEye OEToolkits | 2.0.7 | 6-[(4-methoxyphenyl)methyl]-2~{H}-1,2,4-triazine-3,5-dithione |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1ccc(cc1)CC1=NNC(=S)NC1=S |
InChI | InChI | 1.06 | InChI=1S/C11H11N3OS2/c1-15-8-4-2-7(3-5-8)6-9-10(16)12-11(17)14-13-9/h2-5H,6H2,1H3,(H2,12,14,16,17) |
InChIKey | InChI | 1.06 | DLNZPTRAPJQNLR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CC2=NNC(=S)NC2=S)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(CC2=NNC(=S)NC2=S)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)CC2=NNC(=S)NC2=S |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1)CC2=NNC(=S)NC2=S |