DUL
Summary
Name: | 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide |
Formula: | C13 H13 N O S2 |
Formal charge: | 0 |
Formula weight: | 263.378 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.7.6 | 5-(3-ethylsulfanylphenyl)thiophene-2-carboxamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C13H13NOS2/c1-2-16-10-5-3-4-9(8-10)11-6-7-12(17-11)13(14)15/h3-8H,2H2,1H3,(H2,14,15) |
InChIKey | InChI | 1.03 | TYROLWYYLFWJEG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCSc1cccc(c1)c2sc(cc2)C(N)=O |
SMILES | CACTVS | 3.385 | CCSc1cccc(c1)c2sc(cc2)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCSc1cccc(c1)c2ccc(s2)C(=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CCSc1cccc(c1)c2ccc(s2)C(=O)N |