N-[(4-ethoxyphenyl)methyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-ethanamide

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-ethanamide Openeye Name: N-[(4-ethoxyphenyl)methyl]-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-[(4-ethoxyphenyl)methyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-methylacetamide IUPAC Name: N-[(4-ethoxyphenyl)methyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide Traditional Name: N-(4-ethoxybenzyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(C)CC2=CC=C(C=C2)OCC)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(C)CC2=CC=C(C=C2)OCC)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5O2S/c1-4-26-20(17-10-12-22-13-11-17)23-24-21(26)29-15-19(27)25(3)14-16-6-8-18(9-7-16)28-5-2/h6-13H,4-5,14-15H2,1-3H3