2-[[4-(2,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide Openeye Name: 2-[[4-(2,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-acetamide CAS Name: 2-[[4-(2,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N,N-diethylacetamide IUPAC Name: 2-[[4-(2,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide Traditional Name: 2-[[4-(2,4-dimethylphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N,N-diethyl-acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NN=C(N1C2=C(C=C(C=C2)C)C)C3=CC=NC=C3

Isomeric SMILES

CCN(CC)C(=O)CSC1=NN=C(N1C2=C(C=C(C=C2)C)C)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5OS/c1-5-25(6-2)19(27)14-28-21-24-23-20(17-9-11-22-12-10-17)26(21)18-8-7-15(3)13-16(18)4/h7-13H,5-6,14H2,1-4H3