N-aminocarbonyl-2-[[4-azanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-aminocarbonyl-2-[[4-azanyl-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-acetamide CAS Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-carbamoylacetamide IUPAC Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylacetamide Traditional Name: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-acetamide Formula: C13H16N6O4S MolecularWeight: 352.36894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)NC(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)NC(=O)N)OC

InChI

InChI=1S/C13H16N6O4S/c1-22-8-4-3-7(5-9(8)23-2)11-17-18-13(19(11)15)24-6-10(20)16-12(14)21/h3-5H,6,15H2,1-2H3,(H3,14,16,20,21)