N-(4-acetamidophenyl)-2-[[4-(2-methylprop-2-enyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[[4-(2-methylprop-2-enyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[[4-(2-methylallyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[[4-(2-methylprop-2-enyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[[4-(2-methylprop-2-enyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[[4-(2-methylallyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)NC(=O)C)C3=CC=NC=C3

Isomeric SMILES

CC(=C)CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)NC(=O)C)C3=CC=NC=C3

InChI

InChI=1S/C21H22N6O2S/c1-14(2)12-27-20(16-8-10-22-11-9-16)25-26-21(27)30-13-19(29)24-18-6-4-17(5-7-18)23-15(3)28/h4-11H,1,12-13H2,2-3H3,(H,23,28)(H,24,29)