Y0R
Summary
Name: | 5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide |
Formula: | C13 H12 N4 O2 S2 |
Formal charge: | 0 |
Formula weight: | 320.39 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.7.6 | 5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C13H12N4O2S2/c1-9-2-4-10(5-3-9)17-8-11(15-16-17)12-6-7-13(20-12)21(14,18)19/h2-8H,1H3,(H2,14,18,19) |
InChIKey | InChI | 1.03 | SEKFZZJSHYKIBE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)n2cc(nn2)c3sc(cc3)[S](N)(=O)=O |
SMILES | CACTVS | 3.385 | Cc1ccc(cc1)n2cc(nn2)c3sc(cc3)[S](N)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N |