N-(2,6-dimethylphenyl)-2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[[4-(3-ethoxypropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[4-(3-ethoxypropyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=NN=C1SCC(=O)NC2=C(C=CC=C2C)C)C3=CC=NC=C3

Isomeric SMILES

CCOCCCN1C(=NN=C1SCC(=O)NC2=C(C=CC=C2C)C)C3=CC=NC=C3

InChI

InChI=1S/C22H27N5O2S/c1-4-29-14-6-13-27-21(18-9-11-23-12-10-18)25-26-22(27)30-15-19(28)24-20-16(2)7-5-8-17(20)3/h5,7-12H,4,6,13-15H2,1-3H3,(H,24,28)